Details of the Drug

General Information of Drug (ID: DMG5KVS)

Drug Name

L-764406

Synonyms

L 764406; L764406

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

318.8

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H11ClN2O2S
IUPAC Name: 2-(benzenesulfonylmethyl)-3-chloroquinoxaline
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=NC3=CC=CC=C3N=C2Cl
InChI: InChI=1S/C15H11ClN2O2S/c16-15-14(17-12-8-4-5-9-13(12)18-15)10-21(19,20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey: AMNQYONRCBZMGT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PPAR-gamma messenger RNA (PPARG mRNA)	TTT2SVW	PPARG_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2696).
2	L-764406 is a partial agonist of human peroxisome proliferator-activated receptor gamma. The role of Cys313 in ligand binding. J Biol Chem. 1999 Mar 19;274(12):7913-22.