Details of the Drug

General Information of Drug (ID: DM2WMJ7)

Drug Name
BMS-816336
Synonyms
11B-HSD-1 inhibitors (non-insulin dependent diabetes/obesity/metabolic syndrome), BMS; 11B-HSD-1 inhibitors (non-insulin dependent diabetes/obesity/metabolic syndrome), Bristol-Myers Squibb; 11beta-hydroxysteroid dehydrogenase-type 1 inhibitors (non-insulin dependent diabetes/obesity/metabolic syndrome), BMS; 11beta-hydroxysteroid dehydrogenase-type 1 inhibitors (non-insulin dependent diabetes/obesity/metabolic syndrome), Bristol-Myers Squibb
Indication
Disease Entry ICD 11 Status REF
Lipid metabolism disorder 5C52.Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 341.4
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H27NO3
IUPAC Name
1-(3-hydroxyazetidin-1-yl)-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone
Canonical SMILES
C1C2CC3CC(C2O)CC1C3(CC(=O)N4CC(C4)O)C5=CC=CC=C5
InChI
InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2
InChIKey
OAAZMUGLOXGVNH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
59336911
ChEBI ID
CHEMBL4086816
TTD ID
D08VSQ
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1) TTN7BL9 DHI1_HUMAN Inhibitor [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Lipid metabolism disorder
ICD Disease Classification 5C52.Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1) DTT HSD11B1 2.03E-01 -0.01 -0.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00979368) Safety Study of BMS-816336 in Healthy Male Subjects. U.S. National Institutes of Health.
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800027626)