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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17N5O3
Molecular Weight 351.3593
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-020

SMILES

C=CC(=O)N1CC[C@@H](C1)OC2=NC(=CC3=CC=CC=C23)C4=NNC(=O)N4

InChI

InChIKey=HIMUHMBGRATXMK-LBPRGKRZSA-N
InChI=1S/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H17N5O3
Molecular Weight 351.3593
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 11:22:12 UTC 2023
Edited
by admin
on Sat Dec 16 11:22:12 UTC 2023
Record UNII
U3T5W003VP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAK-020
Common Name English
(S)-3-(1-((1-ACRYLOYLPYRROLIDIN-3-YL)OXY)ISOQUINOLIN-3-YL)-1H-1,2,4-TRIAZOL-5(4H)-ONE
Systematic Name English
3H-1,2,4-TRIAZOL-3-ONE, 1,2-DIHYDRO-5-(1-(((3S)-1-(1-OXO-2-PROPEN-1-YL)-3-PYRROLIDINYL)OXY)-3-ISOQUINOLINYL)-
Systematic Name English
Code System Code Type Description
CAS
1627603-21-7
Created by admin on Sat Dec 16 11:22:12 UTC 2023 , Edited by admin on Sat Dec 16 11:22:12 UTC 2023
PRIMARY
SMS_ID
300000042494
Created by admin on Sat Dec 16 11:22:12 UTC 2023 , Edited by admin on Sat Dec 16 11:22:12 UTC 2023
PRIMARY
PUBCHEM
136286736
Created by admin on Sat Dec 16 11:22:12 UTC 2023 , Edited by admin on Sat Dec 16 11:22:12 UTC 2023
PRIMARY
FDA UNII
U3T5W003VP
Created by admin on Sat Dec 16 11:22:12 UTC 2023 , Edited by admin on Sat Dec 16 11:22:12 UTC 2023
PRIMARY
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