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 C14H17BrN4O2
Molecular Weight 353.214
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADB-5Br-INACA

SMILES

CC(C)(C)[C@H](NC(=O)C1=NNC2=C1C=C(Br)C=C2)C(N)=O

InChI

InChIKey=AJGASUCDTSLMNP-LLVKDONJSA-N
InChI=1S/C14H17BrN4O2/c1-14(2,3)11(12(16)20)17-13(21)10-8-6-7(15)4-5-9(8)18-19-10/h4-6,11H,1-3H3,(H2,16,20)(H,17,21)(H,18,19)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H17BrN4O2
Molecular Weight 353.214
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 Wed Apr 02 17:21:47 GMT 2025
Edited
by admin
on Wed Apr 02 17:21:47 GMT 2025
Record UNII
79V2QU4QLC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-5-bromo-1H-indazole-3-carboxamide
Preferred Name English
ADB-5Br-INACA
Common Name English
Code System Code Type Description
FDA UNII
79V2QU4QLC
Created by admin on Wed Apr 02 17:21:47 GMT 2025 , Edited by admin on Wed Apr 02 17:21:47 GMT 2025
PRIMARY
PUBCHEM
167713294
Created by admin on Wed Apr 02 17:21:47 GMT 2025 , Edited by admin on Wed Apr 02 17:21:47 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Exhibit cannabinoid (CB) receptor activity but overall potency is expected to be low.