PEPOSERTIB

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H21ClFN5O3
Molecular Weight	481.907
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(N=N1)[C@@H](O)C2=CC(=C(F)C=C2Cl)C3=NC=NC4=CC(=CC=C34)N5CCOCC5

InChI

InChIKey=MOWXJLUYGFNTAL-DEOSSOPVSA-N

InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H21ClFN5O3
Molecular Weight	481.907
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
DNA-dependent protein kinase catalytic subunit 4 Target ID: P78527\|\|\|Q9UME3 Gene ID: 5591.0 Gene Symbol: PRKDC Target Organism: Homo sapiens (Human) Sources: https://patents.google.com/patent/WO2014183850A1/en \| https://www.ncbi.nlm.nih.gov/pubmed/28423228	Inhibitor 8504

C_max

Value	Dose	Analyte	Population
561 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1490 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
695 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	150 mg 2 times / day multiple, oral dose: 150 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
393 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
839 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	300 mg 2 times / day multiple, oral dose: 300 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
717 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	400 mg 2 times / day multiple, oral dose: 400 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
440 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	100 mg 1 times / day steady-state, oral dose: 100 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1190 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 1 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
699 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
671 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1730 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	300 mg 2 times / day steady-state, oral dose: 300 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1930 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Analyte	Population
2920 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
9970 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
3770 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	150 mg 2 times / day multiple, oral dose: 150 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1780 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
6050 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	300 mg 2 times / day multiple, oral dose: 300 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4140 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	400 mg 2 times / day multiple, oral dose: 400 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
2290 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	100 mg 1 times / day steady-state, oral dose: 100 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
6520 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 1 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
5000 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
3320 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
11900 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	300 mg 2 times / day steady-state, oral dose: 300 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
12800 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Analyte	Population
6.6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
9.4 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg single, oral dose: 200 mg route of administration: Oral experiment type: SINGLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
5.1 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	150 mg 2 times / day multiple, oral dose: 150 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
5.6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4.7 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	300 mg 2 times / day multiple, oral dose: 300 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
3 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	400 mg 2 times / day multiple, oral dose: 400 mg route of administration: Oral experiment type: MULTIPLE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
5.5 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	100 mg 1 times / day steady-state, oral dose: 100 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4.5 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 1 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
6.8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4.4 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
6.21 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	300 mg 2 times / day steady-state, oral dose: 300 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4.7 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33230210/	400 mg 2 times / day steady-state, oral dose: 400 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
11.4% EXPERIMENT https://jpet.aspetjournals.org/content/jpet/381/3/217.full.pdf	5 μg single dose: 5 μg route of administration: experiment type: SINGLE co-administered:		NEDISERTIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

PubMed

Title	Date	PubMed
Targeting DNA-Dependent Protein Kinase for Cancer Therapy.	2017-06-21	28423228

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:55:33 GMT 2025` Edited by `admin` on `Wed Apr 02 07:55:33 GMT 2025`
Record UNII	GN429E725A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEPOSERTIB

Official Name

English

MSC2490484A

Preferred Name

English

3-PYRIDAZINEMETHANOL, .ALPHA.-(2-CHLORO-4-FLUORO-5-(7-(4-MORPHOLINYL)-4-QUINAZOLINYL)PHENYL)-6-METHOXY-, (.ALPHA.S)-

Systematic Name

English

M3814

Code

English

NEDISERTIB

Common Name

English

Peposertib [WHO-DD]

Common Name

English

MSC-2490484A

Code

English

peposertib [INN]

Common Name

English

M-3814

Code

English

Code System Code Type Description

INN

10777