Details of the Drug

General Information of Drug (ID: DMFO843)

• Drug Name: Fluspirilene
• Synonyms: Fluspirilen; Fluspirileno; Fluspirilenum; Imap; Redeptin; Spirodiflamine; R 6218; F-100; Fluspirileno [INN-Spanish]; Fluspirilenum [INN-Latin]; Imap (TN); Spiropiperidine analogue, 1; Fluspirilene (USAN/INN); Fluspirilene [USAN:INN:BAN]; McN-JR-6218; 1-Phenyl-4-oxo-8-(4,4-bis(4-fluorophenyl)butyl)-1,3,8-triazaspiro(4,5)decane; 8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one; 8-[4,4-bis (p-fluorophenyl)butyl]-1-phenyl-1,3,8-triazino[4,5]decan-4-one; 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 8-[4,4-bis(4-fluorophenyl)butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one; 8-[4,4-bis(p-Fluorophenyl)butyl]-1-phenyl-1,3,8-triazino[4.5]decan-4-one

Indication

Disease Entry	ICD 11	Status	REF
Schizophrenia	6A20	Approved	[1], [2]

• Therapeutic Class: Antipsychotic Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 475.6
  Topological Polar Surface Area (xlogp); 5.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C29H31F2N3O
  IUPAC Name: 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
  Canonical SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
  InChI: InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
  InChIKey: QOYHHIBFXOOADH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3396
  ChEBI ID: CHEBI:93369
  CAS Number: 1841-19-6
  DrugBank ID: DB04842
  TTD ID: D0U5FS
  INTEDE ID: DR0732

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Antagonist	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[4]

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
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	1.04E-02	6.29E-02	3.54E-01

References

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