Details of the Drug

General Information of Drug (ID: DMOIZY1)

Drug Name

2-Amino-4-phosphono-butyric acid

Synonyms

2-amino-4-phosphonobutanoic acid; 6323-99-5; DL-AP4; 20263-07-4; DL-2-Amino-4-phosphonobutyric acid; Butanoic acid, 2-amino-4-phosphono-; BRN 5255932; CHEMBL285843; BUTYRIC ACID, 2-AMINO-4-PHOSPHONO-; MFCD00013999; L-2-amino-4-phosphonobutyrate; Abu(P); SR-01000075414; L-2-amino-4-phosphobutyric acid; L-AP4 cpd, butyric; AC1Q6RPJ; 4-Amino Phosphonobutyrate

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)

183.1

Logarithm of the Partition Coefficient (xlogp)

-5.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C4H10NO5P
IUPAC Name: 2-amino-4-phosphonobutanoic acid
Canonical SMILES: C(CP(=O)(O)O)C(C(=O)O)N
InChI: InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
InChIKey: DDOQBQRIEWHWBT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2207
CAS Number: 6323-99-5
TTD ID: D00IGI

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	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	(2S,1'S,2'R,3'R)-2(2'-Carboxy-3'-hydroxymethylcyclopropyl)glycine-[3H], a potent and selective radioligand for labeling group 2 and 3 metabotropic ... Bioorg Med Chem Lett. 2005 Jan 17;15(2):349-51.