Details of the Drug

General Information of Drug (ID: DMLPRZJ)

• Drug Name: Ensaculin hydrochloride
• Synonyms: Anseculin hydrochloride; Ensaculin hydrochloride; KA-672.HCl; 7-Methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethyl-2H-1-benzopyran-2-one hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 489
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 8
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C26H33ClN2O5
  IUPAC Name: 7-methoxy-6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3,4-dimethylchromen-2-one;hydrochloride
  Canonical SMILES: CC1=C(C(=O)OC2=CC(=C(C=C12)OCCCN3CCN(CC3)C4=CC=CC=C4OC)OC)C.Cl
  InChI: InChI=1S/C26H32N2O5.ClH/c1-18-19(2)26(29)33-23-17-24(31-4)25(16-20(18)23)32-15-7-10-27-11-13-28(14-12-27)21-8-5-6-9-22(21)30-3;/h5-6,8-9,16-17H,7,10-15H2,1-4H3;1H
  InChIKey: XMONKHCPLIYQCY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 6918282
  TTD ID: D00KIE
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Parkinson disease
• ICD Disease Classification: 8A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] Ensaculin (KA-672 HCl): a multitransmitter approach to dementia treatment. CNS Drug Rev. 2002 Summer;8(2):143-58.