General Information of the Compound
Compound ID
CP0073805
Compound Name
1-(3-hydroxyazetidin-1-yl)-2-(6-hydroxy-2-phenyl-2-adamantyl)ethanone
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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
BMS-816336
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Structure
Formula
C21H27NO3
Molecular Weight
341.451
Canonical SMILES
OC1CN(C1)C(=O)CC1(C2CC3CC1CC(C2)C3O)c1ccccc1
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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
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InChIKey
OAAZMUGLOXGVNH-UHFFFAOYSA-N
Physicochemical Property
logP
1.9445
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
60.77
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 59336911
ChEMBL ID
CHEMBL4086816
Clinical Information about the Compound
Drug 1 ( BMS-816336 )
Drug Name BMS-816336
Company Bristol-Myers Squibb Co
Indication
Lipid metabolism disorder
Phase 1
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
Inhibitor