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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22N4O
Molecular Weight 286.3721
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Y-30141

SMILES

[H][C@@]1(CC[C@@H](CC1)C(=O)NC2=C3C=CNC3=NC=C2)[C@@H](C)N

InChI

InChIKey=DWTNLZZEPSCAIH-IJLUTSLNSA-N
InChI=1S/C16H22N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h6-12H,2-5,17H2,1H3,(H2,18,19,20,21)/t10-,11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H22N4O
Molecular Weight 286.3721
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:58:46 UTC 2023
Edited
by admin
on Sat Dec 16 19:58:46 UTC 2023
Record UNII
Y5SX5UDW77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Y-30141
Code English
Y30141
Code English
trans-4-[(1R)-1-Aminoethyl]-N-1H-pyrrolo[2,3-b]pyridin-4-ylcyclohexanecarboxamide
Systematic Name English
Cyclohexanecarboxamide, 4-[(1R)-1-aminoethyl]-N-1H-pyrrolo[2,3-b]pyridin-4-yl-, trans-
Systematic Name English
Cyclohexanecarboxamide, 4-(1-aminoethyl)-N-1H-pyrrolo[2,3-b]pyridin-4-yl-, [4(R)-trans]-
Systematic Name English
Code System Code Type Description
FDA UNII
Y5SX5UDW77
Created by admin on Sat Dec 16 19:58:46 UTC 2023 , Edited by admin on Sat Dec 16 19:58:46 UTC 2023
PRIMARY
CAS
199433-55-1
Created by admin on Sat Dec 16 19:58:46 UTC 2023 , Edited by admin on Sat Dec 16 19:58:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Competitive for ATP
Ki
TARGET -> INHIBITOR
Competitive for ATP
COMPETITIVE INHIBITOR
Ki