Details of the Drug

General Information of Drug (ID: DMTKWUM)

Drug Name

N-(2-aminophenyl)-4-methoxybenzamide

Synonyms

N-(2-aminophenyl)-4-methoxybenzamide; AC1LFX2W; Cambridge id 5129152; Oprea1_722128; benzamide-type inhibitor, 22; CHEMBL236061; SCHEMBL5226034; BDBM19426; CTK7A1998; MolPort-001-019-504; BDYVCYUXCNZYRW-UHFFFAOYSA-N; ZINC281656; STK156256; AKOS000130378; MCULE-9183453747; N-(2-Amino-phenyl)4-methoxy-benzamide; N-(2-amino-phenyl)-4-methoxy-benzamide; NCGC00240897-01; N1-(4-methoxybenzoyl)-1,2-benzenediamine; N1-(4-methoxy-benzoyl)-1,2-benzenediamine; ST50908739; N-(2-aminophenyl)(4-methoxyphenyl)carboxamide; SR-01000196394

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)

242.27

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H14N2O2
IUPAC Name: N-(2-aminophenyl)-4-methoxybenzamide
Canonical SMILES: COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
InChI: InChI=1S/C14H14N2O2/c1-18-11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,15H2,1H3,(H,16,17)
InChIKey: BDYVCYUXCNZYRW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 785232
CAS Number: 103517-57-3
TTD ID: D0YO6M

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Inhibitor	[1]
Histone deacetylase 1 (HDAC1)	TT6R7JZ	HDAC1_HUMAN	Inhibitor	[1]
Histone deacetylase 2 (HDAC2)	TTSHTOI	HDAC2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histone deacetylase 1 (HDAC1)	DTT	HDAC1	6.27E-01	0.11	0.33

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity. J Med Chem. 2007 Nov 15;50(23):5543-6.