Opnurasib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H28ClN7O
Molecular Weight	526.032
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, R

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=CC2=C1C=CC(=C2)C3=NN(C4CC5(C4)CN(C5)C(=O)C=C)C(C)=C3C6=C7C=NNC7=CC(C)=C6Cl

InChI

InChIKey=AZUYLZMQTIKGSC-UHFFFAOYSA-N

InChI=1S/C29H28ClN7O/c1-5-24(38)36-14-29(15-36)10-20(11-29)37-17(3)25(26-21-13-31-33-22(21)8-16(2)27(26)30)28(34-37)18-6-7-23-19(9-18)12-32-35(23)4/h5-9,12-13,20H,1,10-11,14-15H2,2-4H3,(H,31,33)

HIDE SMILES / InChI

Molecular Formula	C29H28ClN7O
Molecular Weight	526.032
Charge	0
Count

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

Approval Year

C_max

Value	Dose	Co-administered	Analyte	Population
5920 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/35404998/	200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		JDQ-443 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
75930 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/35404998/	200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		JDQ-443 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
7 h REVIEW https://www.cancernetwork.com/view/jdq443-promotes-efficacy-in-kras-g12c-mutant-solid-tumors	200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		JDQ-443 plasma	Homo sapiens population: UNHEALTHY age: UNKNOWN sex: UNKNOWN food status: FED

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:30:37 GMT 2025` Edited by `admin` on `Wed Apr 02 09:30:37 GMT 2025`
Record UNII	Q3W0H3V1LQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Opnurasib

Official Name

English

JDQ-443

Preferred Name

English

NVP-JDQ-443

Code

English

OPNURASIB [USAN]

Common Name

English

opnurasib [INN]

Common Name

English

1-[6-[(4R)-4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-2-propen-1-one

Systematic Name

English

2-Propen-1-one, 1-[6-[(4R)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]-

Systematic Name

English

1-{6-[(4M)-4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl}prop-2-en-1-one

Systematic Name

English

Opnurasib [WHO-DD]

Common Name

English

JDQ443

Code

English

1-{6-[(4M)-4-(5-chloro-6-methyl-1H-indazol-4-yl)-5- methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2- azaspiro[3.3]heptan-2-yl}prop-2-en-1-one

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C177916