ZOTIRACICLIB CITRATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H24N4O.C6H8O7
Molecular Weight	564.5864
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C\C=C\CCOC2=CC(=CC=C2)C3=NC(NC4=CC(C1)=CC=C4)=NC=C3

InChI

InChIKey=NWYDRHSNEATNRI-SQQVDAMQSA-N

InChI=1S/C23H24N4O.C6H8O7/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b3-2+;

HIDE SMILES / InChI

Molecular Formula	C23H24N4O
Molecular Weight	372.4629
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Cyclin-dependent kinase 2/cyclin A 8 Target ID: CHEMBL2094128 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22148278	Inhibitor 8504	13.0 nM [IC50]
Tyrosine-protein kinase receptor FLT3 42 Target ID: CHEMBL1974 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22148278	Inhibitor 8504	56.0 nM [IC50]
Tyrosine-protein kinase JAK2 59 Target ID: CHEMBL2971 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22148278	Inhibitor 8504	73.0 nM [IC50]

C_max

Value	Dose	Co-administered	Analyte	Population
2549.6 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33785481/	250 mg single, oral dose: 250 mg route of administration: Oral experiment type: SINGLE co-administered: Temozolomide	Temozolomide	ZOTIRACICLIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
33100.8 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33785481/	250 mg single, oral dose: 250 mg route of administration: Oral experiment type: SINGLE co-administered: Temozolomide	Temozolomide	ZOTIRACICLIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
9.5 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33785481/	250 mg single, oral dose: 250 mg route of administration: Oral experiment type: SINGLE co-administered: Temozolomide	Temozolomide	ZOTIRACICLIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
0.01% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22372550/		Temozolomide	ZOTIRACICLIB plasma	Homo sapiens

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:09:36 GMT 2025` Edited by `admin` on `Mon Mar 31 20:09:36 GMT 2025`
Record UNII	3VF50SU4RZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZOTIRACICLIB CITRATE

Official Name

English

(6E)-9-Methyl-3-oxa-9,12-diaza-1(4,2)-pyrimidina-2,11(1,3)-dibenzenacyclododecaphan-6-ene 2-hydroxypropane-1,2,3-tricarboxylate (1:1)

Preferred Name

English

Zotiraciclib citrate [WHO-DD]

Common Name

English

20-OXA-5,7,14,27-TETRAAZATETRACYCLO(19.3.1.12,6.18,12)HEPTACOSA-1(25),2,4,6(27),8,10,12(26),16,21,23-DECAENE, 14-METHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

TG-02 CITRATE

Common Name

English

ZOTIRACICLIB CITRATE [USAN]

Common Name

English

Code System Code Type Description

CAS

1204918-73-9