Details of the Drug

General Information of Drug (ID: DM7COSH)

Drug Name

(R,S)-4-phosphonophenylglycine

Synonyms

(RS)-PPG; 120667-15-4; 2-amino-2-(4-phosphonophenyl)acetic acid; CHEMBL277475; AC1ND7MS; (RS)PPG; (RS) PPG; C8H10NO5P; (RS)-4-Phosphonophenylglycine; GTPL1406; SCHEMBL9150881; CTK8F0597; (R,S)-4-PPG; MolPort-003-983-668; BN0429; BDBM50004881; AKOS015911887; Amino-(4-phosphono-phenyl)-acetic acid; NCGC00025051-02; RT-015313; V2034; Amino-(4-phosphono-phenyl)-acetic acid(RS-PPG); SR-01000597406; 667P154; L000025; SR-01000597406-1; J-004376

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

231.14

Logarithm of the Partition Coefficient (xlogp)

-3.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C8H10NO5P
IUPAC Name: 2-amino-2-(4-phosphonophenyl)acetic acid
Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)N)P(=O)(O)O
InChI: InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)
InChIKey: JRQRKFDFHAPMGQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4545574
TTD ID: D09AQK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 8 (mGluR8)	TT0IFKL	GRM8_HUMAN	Agonist	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

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: 1406).
2	Anticonvulsant activity of a metabotropic glutamate receptor 8 preferential agonist, (R,S)-4-phosphonophenylglycine. Eur J Pharmacol. 1999 Oct 21;383(1):23-7.