Details of the Drug

General Information of Drug (ID: DMMJ1IS)

Drug Name

Prolixin decanoate

Synonyms

Modecate; Dapotum D; Flufenazine decanoate; Fluorophenazine decanoate; Fluphenaline decanoate; Fluphenazine decanoate; Fluphenazine depot; Moditen depot; Fluphenazine O-decanoate; Moditen-depo; Prolixin decanoate (TN); SQ 10,733; Fluphenazine decanoate (JAN/USP); Decanoic acid, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester; Decanoic acid, 2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester; Decanoic acid, 2-(4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester; Decanoic acid, 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester; 2-(4-(3-(2-(Trifluoromethyl)phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl decanoate; 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate; 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl decanoate

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Approved	[1]
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Therapeutic Class

Antipsychotic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

591.8

Logarithm of the Partition Coefficient (xlogp)

9

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C32H44F3N3O2S
IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl decanoate
Canonical SMILES: CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI: InChI=1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3
InChIKey: VIQCGTZFEYDQMR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3388
ChEBI ID: CHEBI:5124
CAS Number: 5002-47-1
TTD ID: D03NTJ
INTEDE ID: DR0722

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1B receptor (HTR1B)	TTK8CXU	5HT1B_HUMAN	Modulator	[2]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6)_{Main DME}	DECB0K3	CP2D6_HUMAN	Substrate	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Schizophrenia

ICD Disease Classification

6A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1B receptor (HTR1B)	DTT	HTR1B	3.68E-03	0.16	0.92
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	5.64E-01	2.36E-02	1.75E-01

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 016727.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
3	Effect of antipsychotic drugs on human liver cytochrome P-450 (CYP) isoforms in vitro: preferential inhibition of CYP2D6. Drug Metab Dispos. 1999 Sep;27(9):1078-84.