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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H7ClF2INO2
Molecular Weight 409.554
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zapnometinib

SMILES

OC(=O)C1=CC=C(F)C(F)=C1NC2=CC=C(I)C=C2Cl

InChI

InChIKey=XCNBGWKQXRQKSA-UHFFFAOYSA-N
InChI=1S/C13H7ClF2INO2/c14-8-5-6(17)1-4-10(8)18-12-7(13(19)20)2-3-9(15)11(12)16/h1-5,18H,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C13H7ClF2INO2
Molecular Weight 409.554
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 18:58:18 UTC 2023
Edited
by admin
on Sat Dec 16 18:58:18 UTC 2023
Record UNII
4RZD8LK83V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Zapnometinib
INN   USAN  
Official Name English
ATR002
Code English
zapnometinib [INN]
Common Name English
Benzoic acid, 2-[(2-chloro-4-iodophenyl)amino]-3,4-difluoro-
Systematic Name English
2-[(2-Chloro-4-iodophenyl)amino]-3,4-difluorobenzoic acid
Systematic Name English
ATR 002 [WHO-DD]
Common Name English
ATR-002
Code English
PD-0184264
Code English
ZAPNOMETINIB [USAN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 853921
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID80435811
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
PRIMARY
NCI_THESAURUS
C183111
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
PRIMARY
INN
11998
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
PRIMARY
FDA UNII
4RZD8LK83V
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
PRIMARY
PUBCHEM
10112191
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
PRIMARY
CAS
303175-44-2
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
PRIMARY
USAN
KL-189
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
PRIMARY
SMS_ID
300000026756
Created by admin on Sat Dec 16 18:58:18 UTC 2023 , Edited by admin on Sat Dec 16 18:58:18 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
IC50
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY