Details of the Drug

General Information of Drug (ID: DM0TUKZ)

Drug Name
(1-phenylcyclopentyl)methanamine
Synonyms
(1-Phenylcyclopentyl)methanamine; 17511-89-6; 1-Phenylcyclopentanemethylamine; 1-(1-PHENYLCYCLOPENTYL)METHANAMINE; (1-phenylcyclopentyl)methylamine; 1-(1-phenylcyclopentyl)methylamine; 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE; 1-Phenylcyclopentanemethanamine; C-(1-Phenyl-cyclopentyl)-methylamine; Cyclopentanemethylamine, 1-phenyl-; BRN 2936636; Cyclopentanemethanamine,1-phenyl-; CHEMBL382127; CHEBI:39505; Cyclopentanemethanamine, 1-phenyl-; (phenylcyclopentyl)methylamine; (1-Phenylcyclopentyl)methylamine hydrochloride; 2bua
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) 175.27
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H17N
IUPAC Name
(1-phenylcyclopentyl)methanamine
Canonical SMILES
C1CCC(C1)(CN)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2
InChIKey
SJWOFBVBNFLWLP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
205131
ChEBI ID
CHEBI:39505
CAS Number
17511-89-6
DrugBank ID
DB04577
TTD ID
D0W4GM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dipeptidyl peptidase 4 (DPP-4) TTDIGC1 DPP4_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
Dipeptidyl peptidase 4 (DPP-4) DTT DPP4 9.54E-01 -0.27 -1.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.