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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H18ClN3O
Molecular Weight 327.8086
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-823778 FREE BASE

SMILES

CC(C)(c1cccn2c1nnc2C3(CC3)c4ccc(cc4)Cl)O

InChI

InChIKey=PTIFVLOBVCIMKL-UHFFFAOYSA-N
InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H18ClN3O
Molecular Weight 327.8086
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P28845
Gene ID: 3290
Gene Symbol: HSD11B1
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Jun 26 05:29:24 UTC 2021
Edited
by admin
on Sat Jun 26 05:29:24 UTC 2021
Record UNII
8JYO8VTR11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-823778 FREE BASE
Common Name English
1,2,4-TRIAZOLO(4,3-A)PYRIDINE-8-METHANOL, 3-(1-(4-CHLOROPHENYL)CYCLOPROPYL)-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
BMS-823778 (FREE BASE)
Code English
Code System Code Type Description
PUBCHEM
42634627
Created by admin on Sat Jun 26 05:29:24 UTC 2021 , Edited by admin on Sat Jun 26 05:29:24 UTC 2021
PRIMARY
CAS
1140897-32-0
Created by admin on Sat Jun 26 05:29:24 UTC 2021 , Edited by admin on Sat Jun 26 05:29:24 UTC 2021
PRIMARY
FDA UNII
8JYO8VTR11
Created by admin on Sat Jun 26 05:29:24 UTC 2021 , Edited by admin on Sat Jun 26 05:29:24 UTC 2021
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
MAJOR
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC SINGLE DOSE ADMINISTRATION

IN HEALTHY CHINESE SUBJECTS

Tmax PHARMACOKINETIC IN HEALTHY CHINESE SUBJECTS

SINGLE DOSE ADMINISTRATION