Details of the Drug

General Information of Drug (ID: DMQ2RDZ)

Drug Name

S-312-d

Synonyms

S-312; S-830312

Indication

Disease Entry	ICD 11	Status	REF
Epilepsy	8A60-8A68	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

386.5

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H22N2O4S
IUPAC Name: methyl (4S)-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Canonical SMILES: CC1=C([C@@H](C2=C(N1)SC=C2CC(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C20H22N2O4S/c1-11(2)8-14-10-27-19-18(14)17(16(12(3)21-19)20(23)26-4)13-6-5-7-15(9-13)22(24)25/h5-7,9-11,17,21H,8H2,1-4H3/t17-/m0/s1
InChIKey: UTLPUICHKZBRCI-KRWDZBQOSA-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	Blocker	[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 800002235)
2	Protective effects of a selective L-type voltage-sensitive calcium channel blocker, S-312-d, on neuronal cell death. Biochem Pharmacol. 2004 Mar 15;67(6):1153-65.