Details of the Drug

General Information of Drug (ID: DMD1G6R)

Drug Name

THPG

Synonyms

(RS)-3,4,5-trihydroxyphenylglycine

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)

199.16

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C8H9NO5
IUPAC Name: 2-(3,4,5-trihydroxyanilino)acetic acid
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)NCC(=O)O
InChI: InChI=1S/C8H9NO5/c10-5-1-4(9-3-7(12)13)2-6(11)8(5)14/h1-2,9-11,14H,3H2,(H,12,13)
InChIKey: ZXXHFFMAINKZSZ-UHFFFAOYSA-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 6 (mGluR6)	TTWRP2F	GRM6_HUMAN	Antagonist	[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: 3326).
2	Two phenylglycine derivatives antagonize responses to L-AP4 in ON bipolar cells of the amphibian retina. Neuropharmacology. 1997 Jan;36(1):13-20.