Details of the Drug | DrugMAP

General Information of Drug (ID: DMO4WB8)

Drug Name	SIB-1663
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			218.29
	Logarithm of the Partition Coefficient (xlogp)			1.8
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			3
Chemical Identifiers	Formula C13H18N2O IUPAC Name 7-methoxy-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline Canonical SMILES CN1CCC2C1C3=CN=C(C=C3CC2)OC InChI InChI=1S/C13H18N2O/c1-15-6-5-9-3-4-10-7-12(16-2)14-8-11(10)13(9)15/h7-9,13H,3-6H2,1-2H3 InChIKey MMHQNOZJLLYHKX-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 10198317 TTD ID D03DMI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nicotinic acetylcholine receptor (nAChR)	TTJSZTB	NOUNIPROTAC	Agonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The therapeutic potential of nicotinic acetylcholine receptor agonists for pain control. Expert Opin Investig Drugs. 2001 Oct;10(10):1819-30.