Details of the Drug

General Information of Drug (ID: DM49MYE)

Drug Name
PF-877423
Synonyms
PF-877423; CHEMBL1095047; N-Adamantan-2-Yl-1-Ethyl-D-Prolinamide; SCHEMBL5157584; UJRJQNDIYCDCNX-BAPHQMLMSA-N; BDBM50317209; N-2-adamantyl-1-ethyl-D-prolinamide; (2R)-N-(adamantan-2-yl)-1-ethylpyrrolidine-2-carboxamide; (1S,2R)-N-(2-adamantyl)-1-ethyl-pyrrolidine-2-carboxamide; 1-ethyl-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]-D-prolinamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 276.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H28N2O
IUPAC Name
(2R)-N-(2-adamantyl)-1-ethylpyrrolidine-2-carboxamide
Canonical SMILES
CCN1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4
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
InChIKey
UJRJQNDIYCDCNX-BAPHQMLMSA-N
Cross-matching ID
PubChem CID
11601544
TTD ID
D03QYZ

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 [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors. Bioorg Med Chem Lett. 2010 May 1;20(9):2897-902.