Details of the Drug

General Information of Drug (ID: DM41JIB)

Drug Name

N-Hydroxycarbamoylmethyl-4-methoxy-benzamide

Synonyms

BRN 2736542; 2-(p-Methoxybenzamido)acetohydroxamic acid; ACETOHYDROXAMIC ACID, 2-(p-METHOXYBENZAMIDO)-; CHEMBL198048; 65654-08-2; N-Hydroxycarbamoylmethyl-4-methoxy-benzamide; AC1L2IK9; SCHEMBL11668774; CTK5C2963; DTXSID60215890; BDBM50175547; LS-13134; N-[2-(hydroxyamino)-2-oxoethyl]-4-methoxybenzamide; N-(HYDROXYCARBAMOYLMETHYL)-4-METHOXY-BENZAMIDE

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)

224.21

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H12N2O4
IUPAC Name: N-[2-(hydroxyamino)-2-oxoethyl]-4-methoxybenzamide
Canonical SMILES: COC1=CC=C(C=C1)C(=O)NCC(=O)NO
InChI: InChI=1S/C10H12N2O4/c1-16-8-4-2-7(3-5-8)10(14)11-6-9(13)12-15/h2-5,15H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey: ZJTICILORBZVBV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 47697
CAS Number: 65654-08-2
TTD ID: D0P2OA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-1 (MMP-1)	TTMX39J	MMP1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Receptor flexibility in de novo ligand design and docking. J Med Chem. 2005 Oct 20;48(21):6585-96.