Details of the Drug

General Information of Drug (ID: DMMWCLV)

Drug Name

SB-221420-A

Synonyms

SB-221420-A

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Investigative	[1]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

393.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C25H28ClNO
IUPAC Name: (1S,2R)-N-methyl-1-[4-(2-phenylpropan-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-amine;hydrochloride
Canonical SMILES: CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O[C@@H]3[C@@H](CC4=CC=CC=C34)NC.Cl
InChI: InChI=1S/C25H27NO.ClH/c1-25(2,19-10-5-4-6-11-19)20-13-15-21(16-14-20)27-24-22-12-8-7-9-18(22)17-23(24)26-3;/h4-16,23-24,26H,17H2,1-3H3;1H/t23-,24+;/m1./s1
InChIKey: GWFDWCZMDDKZDV-ITNPDYSASA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated sodium channel alpha Nav1.9 (SCN11A)	TTN9VTF	SCNBA_HUMAN	Blocker	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Recent updates of N-type calcium channel blockers with therapeutic potential for neuropathic pain and stroke. Curr Top Med Chem. 2009;9(4):377-95.