Details of the Drug

General Information of Drug (ID: DMSCXB7)

Drug Name

UK-240455

Synonyms

UK-212189 (racemate); (aR)-N-(6,7-Dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-(2-hydroxyethyl)methanesulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Nerve injury	ND56.4	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

368.2

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C11H11Cl2N3O5S
IUPAC Name: N-(6,7-dichloro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-N-(2-hydroxyethyl)methanesulfonamide
Canonical SMILES: CS(=O)(=O)N(CCO)C1=C2C(=CC(=C1Cl)Cl)NC(=O)C(=O)N2
InChI: InChI=1S/C11H11Cl2N3O5S/c1-22(20,21)16(2-3-17)9-7(13)5(12)4-6-8(9)15-11(19)10(18)14-6/h4,17H,2-3H2,1H3,(H,14,18)(H,15,19)
InChIKey: BGJHUMNCODFLCH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glycine receptor (GlyR)	TTZ8EM9	GLRA1_HUMAN ; GLRA2_HUMAN ; GLRA3_HUMAN ; GLRA4_HUMAN ; GLRB_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	UK-315716/UK-240455. Pfizer. Curr Opin Investig Drugs. 2001 Dec;2(12):1737-9.