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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20FN7
Molecular Weight 389.4288
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILGINATINIB

SMILES

C[C@H](NC1=NC(NC2=NC=CN=C2)=CC(=C1)C3=CN(C)N=C3)C4=CC=C(F)C=C4

InChI

InChIKey=UQTPDWDAYHAZNT-AWEZNQCLSA-N
InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H20FN7
Molecular Weight 389.4288
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:18:31 UTC 2023
Edited
by admin
on Sat Dec 16 11:18:31 UTC 2023
Record UNII
56R994WX4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILGINATINIB
INN  
Official Name English
NS-018
Code English
ilginatinib [INN]
Common Name English
2,6-PYRIDINEDIAMINE, N2-((1S)-1-(4-FLUOROPHENYL)ETHYL)-4-(1-METHYL-1H-PYRAZOL-4-YL)-N6-2-PYRAZINYL-
Systematic Name English
(S)-N-(1-(4-FLUOROPHENYL)ETHYL)-4-(1-METHYL-1H-PYRAZOL-4-YL)-N'-(PYRAZIN-2-YL)PYRIDINE-2,6-DIAMINE
Systematic Name English
Code System Code Type Description
FDA UNII
56R994WX4L
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID201115696
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
NCI_THESAURUS
C98109
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
CAS
1239358-86-1
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
INN
10731
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
CAS
1526932-96-6
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
NO STRUCTURE GIVEN
ChEMBL
CHEMBL3545217
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
SMS_ID
100000183590
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
DRUG BANK
DB12784
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
PUBCHEM
46866319
Created by admin on Sat Dec 16 11:18:31 UTC 2023 , Edited by admin on Sat Dec 16 11:18:31 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
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ACTIVE MOIETY