Details of the Drug

General Information of Drug (ID: DM0DKQN)

Drug Name

GSK-2210875

Synonyms

GSK-1222392; GSK-1331258; GSK-1635157; GSK-329771; GSK-355089; GSK-817755

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

302.35

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C14H14N4O2S
IUPAC Name: [(1R)-1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl] N-phenylcarbamate
Canonical SMILES: CC1=C(SC2=NC=NN12)[C@@H](C)OC(=O)NC3=CC=CC=C3
InChI: InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1
InChIKey: AOUUMBPBMVOBSP-SNVBAGLBSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Anxiety disorder

ICD Disease Classification

6B00-6B0Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression 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: 6435).
2	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. (Target id: 293).