Details of the Drug

General Information of Drug (ID: DMHDB70)

Drug Name

4-amino-biphenyl-3-carboxylic acid amide

Synonyms

CHEMBL207940; 5-phenylanthranilamide; 2-amino-5-phenylbenzamide; SCHEMBL3781950; Amino-substituted benzamide, 8c; BDBM27462; ZINC13686738

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)

212.25

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H12N2O
IUPAC Name: 2-amino-5-phenylbenzamide
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)N)C(=O)N
InChI: InChI=1S/C13H12N2O/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,14H2,(H2,15,16)
InChIKey: KLDLPUIJJYDCEE-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inhibitor of nuclear factor kappa-B kinase beta (IKKB)	TTJ3E9X	IKKB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Inhibitor of nuclear factor kappa-B kinase beta (IKKB)	DTT	IKBKB	5.74E-08	0.26	0.88

Molecular Expression Atlas (MEA)

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References

1	Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem. 2006 May 18;49(10):2898-908.