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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17N7
Molecular Weight 355.3959
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-04254644

SMILES

C[C@H](C1=NN=C2C=CC(=NN12)C3=CN(C)N=C3)C4=CC5=C(C=C4)N=CC=C5

InChI

InChIKey=VQYHPUHKYSSEOB-ZDUSSCGKSA-N
InChI=1S/C20H17N7/c1-13(14-5-6-17-15(10-14)4-3-9-21-17)20-24-23-19-8-7-18(25-27(19)20)16-11-22-26(2)12-16/h3-13H,1-2H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H17N7
Molecular Weight 355.3959
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 19:52:42 UTC 2023
Edited
by admin
on Sat Dec 16 19:52:42 UTC 2023
Record UNII
UN4C7N5KVB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-04254644
Common Name English
Quinoline, 6-[(1S)-1-[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]ethyl]-
Systematic Name English
6-[(1S)-1-[6-(1-Methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
Systematic Name English
(S)‑6-(1-(6-(1-Methyl‑1H‑pyrazol-4-yl)-[1,2,4]triazolo[4,3‑b]pyridazin-3-yl)ethyl)quinoline
Systematic Name English
Code System Code Type Description
FDA UNII
UN4C7N5KVB
Created by admin on Sat Dec 16 19:52:44 UTC 2023 , Edited by admin on Sat Dec 16 19:52:44 UTC 2023
PRIMARY
PUBCHEM
24871823
Created by admin on Sat Dec 16 19:52:44 UTC 2023 , Edited by admin on Sat Dec 16 19:52:44 UTC 2023
PRIMARY
CAS
959584-91-9
Created by admin on Sat Dec 16 19:52:44 UTC 2023 , Edited by admin on Sat Dec 16 19:52:44 UTC 2023
PRIMARY
Related Record Type Details
OFF-TARGET->INHIBITOR
IC50
OFF-TARGET->INHIBITOR
IC50
OFF-TARGET->INHIBITOR
IC50
OFF-TARGET->INHIBITOR
May be responsible for myocarditis and cardiac toxicity
IC50
OFF-TARGET->INHIBITOR
IC50
OFF-TARGET->INHIBITOR
IC50
OFF-TARGET->INHIBITOR
IC50
OFF-TARGET->INHIBITOR
IC50
OFF-TARGET->INHIBITOR
IC50
ENANTIOMER -> ENANTIOMER
TARGET -> INHIBITOR
IC50