General Information of the Compound
Compound ID
CP0172611
Compound Name
(3R,5R)-adamantan-1-yl(pyrrolidin-1-yl)methanone
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Synonyms
(3r,5r,7r)-adamantan-1-yl(pyrrolidin-1-yl)methanone
1-(adamantane-1-carbonyl)pyrrolidine
1-adamantyl(1-pyrrolidinyl)methanone
1-adamantyl(pyrrolidin-1-yl)methanone
22508-51-6
AC1MCDV9
AKOS000612243
Adamantan-1-yl-pyrrolidin-1-yl-methanone
BDBM50207788
CB09819
CBMicro_007397
CCG-246226
CHEMBL392866
Cambridge id 5142982
HMS1608M03
HMS2477C05
MCULE-7009966643
MLS000526196
MolPort-001-930-821
Oprea1_111627
Oprea1_295021
SCHEMBL3456185
SMSF0003738
STK091400
ZINC4031845
adamantanyl pyrrolidinyl ketone
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Structure
Formula
C15H23NO
Molecular Weight
233.355
Canonical SMILES
O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C15H23NO/c17-14(16-3-1-2-4-16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2
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InChIKey
RVXVNLMWQYKNHL-UHFFFAOYSA-N
Physicochemical Property
logP
2.8252
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 2741656
ChEMBL ID
CHEMBL392866
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 498 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Adamantan-1-yl-pyrrolidin-1-yl-methanone )
Drug Name Adamantan-1-yl-pyrrolidin-1-yl-methanone
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
Inhibitor