Details of the Drug

General Information of Drug (ID: DMX0Y79)

Drug Name

N-BENZOYL-D-ALANINE

Synonyms

n-benzoyl-d-alanine; Bz-D-Ala-Oh; 17966-60-8; D-Alanine, N-benzoyl-; BZO-D-ALA-OH; 2-Benzoylamino-propionic acid; Benzoyl-D-Alanine; N-Benzoyl-D-Ala-OH; AC1Q5JMF; AC1Q29AE; AC1L3M8G; CHEMBL55771; (R)-2-benzamidopropanoic acid; SCHEMBL2796740; (2R)-2-benzamidopropanoic acid; CTK0H2174; ANW-60729; ZINC82068115; 9422AA; AKOS000352443; DB08508; AB02521; (2R)-2-(phenylformamido)propanoic acid; KB-48541; AS-48959; AJ-11083; TC-149474; FT-0695165

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)

193.2

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H11NO3
IUPAC Name: (2R)-2-benzamidopropanoic acid
Canonical SMILES: C[C@H](C(=O)O)NC(=O)C1=CC=CC=C1
InChI: InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKey: UAQVHNZEONHPQG-SSDOTTSWSA-N

Cross-matching ID

PubChem CID: 91514
DrugBank ID: DB08508
TTD ID: D08COD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Penicillin-binding protein 1B (Bact mrcB)	TT329FH	PBPB_ECOLI	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.