General Information of the Compound
Compound ID
CP0259117
Compound Name
(2R)-N-(adamantan-2-yl)-1-ethylpyrrolidine-2-carboxamide
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Synonyms
(1S,2R)-N-(2-adamantyl)-1-ethyl-pyrrolidine-2-carboxamide
(2R)-N-(adamantan-2-yl)-1-ethylpyrrolidine-2-carboxamide
1-ethyl-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]-D-prolinamide
BDBM50317209
CHEMBL1095047
N-2-adamantyl-1-ethyl-D-prolinamide
N-Adamantan-2-Yl-1-Ethyl-D-Prolinamide
PF-877423
SCHEMBL5157584
UJRJQNDIYCDCNX-BAPHQMLMSA-N
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Structure
Formula
C17H28N2O
Molecular Weight
276.424
Canonical SMILES
CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
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InChI
InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11?,12?,13?,14?,15-,16?/m1/s1
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InChIKey
UJRJQNDIYCDCNX-BAPHQMLMSA-N
Physicochemical Property
logP
2.4116
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 11601544
SID: 16704236
ChEMBL ID
CHEMBL1095047
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 = 4.15 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.4 nM
Clinical Information about the Compound
Drug 1 ( PF-877423 )
Drug Name PF-877423
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
Inhibitor