Details of the Drug

General Information of Drug (ID: DM4V2ZO)

Drug Name

2-(Phosphonooxy)Butanoic Acid

Synonyms

2-(PHOSPHONOOXY)BUTANOIC ACID; AC1NRCQI; 2-phosphonooxybutanoic acid; SCHEMBL4318695; (2R)-2-(phosphonooxy)butanoic acid

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

184.08

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C4H9O6P
IUPAC Name: (2R)-2-phosphonooxybutanoic acid
Canonical SMILES: CC[C@H](C(=O)O)OP(=O)(O)O
InChI: InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1
InChIKey: OETAGSCBSKODFW-GSVOUGTGSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Deoxy-D-manno-octulosonate 8-phosphate synthase (Bact kdsA)	TTVNA43	KDSA_ECOLI	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.