PEPOSERTIB

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=NN=C(C=C1)[C@@H](O)C2=C(Cl)C=C(F)C(=C2)C3=NC=NC4=C3C=CC(=C4)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 8297

PubMed

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

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:31:43 GMT 2023` Edited by `admin` on `Sat Dec 16 16:31:43 GMT 2023`
Record UNII	GN429E725A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEPOSERTIB

Official 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

MSC2490484A

Code

English

peposertib [INN]

Common Name

English

M-3814

Code

English

Code System Code Type Description

INN

10777