U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H33N3O4
Molecular Weight 463.5686
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GM-1489

SMILES

CC(C)C[C@H](CC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](C)C3=CC=CC=C3

InChI

InChIKey=BLPWNGOQQLJQOL-NRYAXDJKSA-N
InChI=1S/C27H33N3O4/c1-17(2)13-20(15-25(31)32)26(33)30-24(14-21-16-28-23-12-8-7-11-22(21)23)27(34)29-18(3)19-9-5-4-6-10-19/h4-12,16-18,20,24,28H,13-15H2,1-3H3,(H,29,34)(H,30,33)(H,31,32)/t18-,20+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H33N3O4
Molecular Weight 463.5686
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.2 nM [Ki]
100.0 nM [Ki]
500.0 nM [Ki]
100.0 nM [Ki]
20.0 µM [Ki]
Substance Class Chemical
Record UNII
T2JBD3H5PG
Record Status Validated (UNII)
Record Version