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Details

Stereochemistry ACHIRAL
Molecular Formula C24H23ClFN5O2
Molecular Weight 467.923
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PELITINIB

SMILES

CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(=C1)N=CC(C#N)=C2NC3=CC(Cl)=C(F)C=C3

InChI

InChIKey=WVUNYSQLFKLYNI-AATRIKPKSA-N
InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+

HIDE SMILES / InChI

Molecular Formula C24H23ClFN5O2
Molecular Weight 467.923
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:28:46 UTC 2023
Edited
by admin
on Fri Dec 15 15:28:46 UTC 2023
Record UNII
X5DWL380Z6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PELITINIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
EKB-569
Code English
pelitinib [INN]
Common Name English
WAY-EKB-569
Code English
Pelitinib [WHO-DD]
Common Name English
2-BUTENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-4-(DIMETHYLAMINO)-, (2E)-
Systematic Name English
(2E)-N-(-((3-CHLORO-4-FLUOROPHENYL)AMINO)3-CYANO-7-ETHOXYQUINOLIN-6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE
Systematic Name English
PELITINIB [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2167
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
Code System Code Type Description
USAN
PP-45
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
SMS_ID
100000151604
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
CHEBI
38927
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
PUBCHEM
6445562
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL607707
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID90870294
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
FDA UNII
X5DWL380Z6
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
CAS
257933-82-7
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
EVMPD
SUB125846
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
NCI_THESAURUS
C2713
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
DRUG BANK
DB05524
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
INN
8462
Created by admin on Fri Dec 15 15:28:46 UTC 2023 , Edited by admin on Fri Dec 15 15:28:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY