FUZULOPARIB

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H16F4N6O2
Molecular Weight	472.3951
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N4CCN5N=C(N=C5C4)C(F)(F)F

InChI

InChIKey=XJGXCBHXFWBOTN-UHFFFAOYSA-N

InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)

HIDE SMILES / InChI

Molecular Formula	C22H16F4N6O2
Molecular Weight	472.3951
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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
1140.16 ng/mL	50 mg single, oral		FLUZOPARIB plasma	Homo sapiens
373.29 ng/mL	50 mg single, oral	rifampicin	FLUZOPARIB plasma	Homo sapiens
2.26 μg/mL	120 mg single, oral		FLUZOPARIB plasma	Homo sapiens
2.76 μg/mL	120 mg single, oral		FLUZOPARIB plasma	Homo sapiens
2395.17 ng/mL	100 mg single, oral		FLUZOPARIB plasma	Homo sapiens
2489.42 ng/mL	100 mg single, oral	Omeprazole	FLUZOPARIB plasma	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
11617.82 ng × h/mL	50 mg single, oral		FLUZOPARIB plasma	Homo sapiens
1232.79 ng × h/mL	50 mg single, oral	rifampicin	FLUZOPARIB plasma	Homo sapiens
30.5 μg × h/mL	120 mg single, oral		FLUZOPARIB plasma	Homo sapiens
33.1 μg × h/mL	120 mg single, oral		FLUZOPARIB plasma	Homo sapiens
26897.44 ng × h/mL	100 mg single, oral		FLUZOPARIB plasma	Homo sapiens
30678.74 ng × h/mL	100 mg single, oral	Omeprazole	FLUZOPARIB plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
10.83 h	50 mg single, oral		FLUZOPARIB plasma	Homo sapiens
2.1 h	50 mg single, oral	rifampicin	FLUZOPARIB plasma	Homo sapiens
13 h	120 mg single, oral		FLUZOPARIB plasma	Homo sapiens
11.8 h	120 mg single, oral		FLUZOPARIB plasma	Homo sapiens
10.38 h	100 mg single, oral		FLUZOPARIB plasma	Homo sapiens
11.55 h	100 mg single, oral	Omeprazole	FLUZOPARIB plasma	Homo sapiens

Substance Class	Chemical
Record UNII	TWF0ML1CK8
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

FUZULOPARIB

Official Name

English

SHR3162

Code

English

4-((3-((5,6-DIHYDRO-2-(TRIFLUOROMETHYL)(1,2,4)TRIAZOLO(1,5-A)PYRAZIN-7(8H)-YL)CARBONYL)-4-FLUOROPHENYL)METHYL)-1(2H)-PHTHALAZINONE

Systematic Name

English

FLUZOPARIB

Common Name

English

1(2H)-PHTHALAZINONE, 4-((3-((5,6-DIHYDRO-2-(TRIFLUOROMETHYL)(1,2,4)TRIAZOLO(1,5-A)PYRAZIN-7(8H)-YL)CARBONYL)-4-FLUOROPHENYL)METHYL)-

Systematic Name

English

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Code System

Code

Type

Description

DRUG BANK

DB15637

PRIMARY

INN

11725

PRIMARY

CAS

1358715-18-0

PRIMARY

NCI_THESAURUS

C126274

PRIMARY

SMS_ID

300000010743

PRIMARY

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Related Record

Type

Details


					U25G2OFC53

POLY (ADP-RIBOSE) POLYMERASE 1

TARGET -> INHIBITOR

Comments:

Fluzoparib was well ordered in the catalytic active site of PARP1 with the same binding mode as olaparib.

Qualification:

IC50

Amount:

1.46 NANOMOLAR [0.74 to 2.22] (average)

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Related Record

Type

Details


					TWF0ML1CK8

FUZULOPARIB

ACTIVE MOIETY

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SMILES

InChI

Approval Year

Cmax

AUC

T1/2

C_max

T_1/2