Details of the Drug

General Information of Drug (ID: DMXKMRV)

Drug Name

NS-649

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

337.3

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C16H14F3N3O2
IUPAC Name: 1-(2,5-dimethoxyphenyl)-5-(trifluoromethyl)benzimidazol-2-amine
Canonical SMILES: COC1=CC(=C(C=C1)OC)N2C3=C(C=C(C=C3)C(F)(F)F)N=C2N
InChI: InChI=1S/C16H14F3N3O2/c1-23-10-4-6-14(24-2)13(8-10)22-12-5-3-9(16(17,18)19)7-11(12)21-15(22)20/h3-8H,1-2H3,(H2,20,21)
InChIKey: RUTNWAGOFFGBCZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005353)
2	Effects of Ca2+ and Na+ channel inhibitors in vitro and in global cerebral ischaemia in vivo. Eur J Pharmacol. 1997 Aug 6;332(2):121-31.