Details of the Drug

General Information of Drug (ID: DMICMXE)

• Drug Name: Ferroquine
• Synonyms: Ferroquine; UNII-8D81JS19ET; 8D81JS19ET; SSR97193; Ferroquine [INN]; 185055-67-8

Indication

Disease Entry	ICD 11	Status	REF
Malaria	1F40-1F45	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 433.8
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C23H24ClFeN3
  IUPAC Name: 7-chloro-N-[[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methyl]quinolin-4-amine;cyclopenta-1,3-diene;iron(2+)
  Canonical SMILES: CN(C)CC1=C(C=[C-]C1)CNC2=C3C=CC(=CC3=NC=C2)Cl.C1C=CC=[C-]1.[Fe+2]
  InChI: InChI=1S/C18H19ClN3.C5H5.Fe/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;1-2-4-5-3-1;/h4,6-10H,5,11-12H2,1-2H3,(H,20,21);1-3H,4H2;/q2*-1;+2
  InChIKey: DLYPREQTTOHKSM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56841801
  CAS Number: 185055-67-8
  TTD ID: D0I6YM
  INTEDE ID: DR1828

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Haematin (HA)	TT0OV9N	NOUNIPROTAC	Inhibitor	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[3]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Substrate	[3]
Cytochrome P450 2C9 (CYP2C9)	DE5IED8	CP2C9_HUMAN	Substrate	[3]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Substrate	[3]

References

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