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]
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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
CAS Number: 31314-38-2
TTD ID: D0P2DU

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.