Details of the Drug

General Information of Drug (ID: DMGIF1L)

Drug Name
Prodipine
Synonyms
Prodipine; 1-Isopropyl-4,4-diphenylpiperidine; UNII-51567MYG7V; 31314-38-2; CHEMBL277382; 51567MYG7V; Prodipinum; Prodipin; Prodipina; Prodipine [INN]; Prodipinum [INN-Latin]; Prodipina [INN-Spanish]; AC1L23XQ; SCHEMBL148420; DTXSID20185247; CFOOTBBXHJHHMT-UHFFFAOYSA-N; 1-i-propyl-4,4-diphenylpiperidine; ZINC1482151; BDBM50047020; 4,4-diphenyl-1-propan-2-ylpiperidine; 1-Isopropyl-4,4-diphenyl-piperidine (prodipine)
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) 279.4
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C20H25N
IUPAC Name
4,4-diphenyl-1-propan-2-ylpiperidine
Canonical SMILES
CC(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N/c1-17(2)21-15-13-20(14-16-21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKey
CFOOTBBXHJHHMT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65775
ChEBI ID
CHEMBL277382
CAS Number
31314-38-2
TTD ID
D0P2DU
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Debrisoquine 4-hydroxylase (CYP2D6) TTVG215 CP2D6_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies. J Med Chem. 1993 Apr 30;36(9):1136-45.