U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Structure of FUZULOPARIB

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:58:55 GMT 2023
Edited
by admin
on Sat Dec 16 14:58:55 GMT 2023
Record UNII
TWF0ML1CK8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUZULOPARIB
INN  
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
fuzuloparib [INN]
Common Name English
Fluzoparib [WHO-DD]
Common Name English
HS-10160
Code English
FUZUOPALI
Common Name English
SHR-3162
Code English
HS10160
Code English
Code System Code Type Description
DRUG BANK
DB15637
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
INN
11725
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
CAS
1358715-18-0
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
NCI_THESAURUS
C126274
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
SMS_ID
300000010743
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
FDA UNII
TWF0ML1CK8
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
PUBCHEM
56649297
Created by admin on Sat Dec 16 14:58:56 GMT 2023 , Edited by admin on Sat Dec 16 14:58:56 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Fluzoparib was well ordered in the catalytic active site of PARP1 with the same binding mode as olaparib.
IC50
Related Record Type Details
ACTIVE MOIETY