Details of the Drug

General Information of Drug (ID: DMYH0XQ)

• Drug Name: Huprine Y
• Synonyms: CHEMBL140476; rac-huprine H3; BDBM10592; BDBM50200340
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 284.8
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H17ClN2
  IUPAC Name: 7-chloro-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-amine
  Canonical SMILES: CC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N
  InChI: InChI=1S/C17H17ClN2/c1-9-4-10-6-11(5-9)16-15(7-10)20-14-8-12(18)2-3-13(14)17(16)19/h2-4,8,10-11H,5-7H2,1H3,(H2,19,20)
  InChIKey: UKCBMHDZLYYTMI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10107976
  ChEBI ID: CHEMBL140476
  TTD ID: D0A0FK
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

• [1] Synthesis and structure-activity relationship of Huprine derivatives as human acetylcholinesterase inhibitors. Bioorg Med Chem. 2009 Jul 1;17(13):4523-36.