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

Topological Polar Surface Area (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

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3	Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for ... J Med Chem. 2009 Mar 12;52(5):1408-15.
4	Arylacetamide kappa opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity. Bioorg Med Chem Lett. 2005 May 16;15(10):2647-52.
5	Novel substituted pyridinyl imidazoles as potent anticytokine agents with low activity against hepatic cytochrome P450 enzymes. J Med Chem. 2003 Jul 17;46(15):3230-44.
6	Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) b... J Med Chem. 2009 Sep 24;52(18):5685-702.
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8	New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43.
9	Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors. Bioorg Med Chem Lett. 2004 Jan 19;14(2):333-6.