Details of the Drug

General Information of Drug (ID: DMN176Y)

Drug Name

2-(2-naphthamido)benzoic acid

Synonyms

2-(2-naphthamido)benzoic acid; SCHEMBL8044197; CHEMBL200536; BDBM16098; 2-(naphthalene-2-amido)benzoic acid; AKOS000132452; 2-[(naphthalen-2-ylcarbonyl)amino]benzoic 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)

291.3

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H13NO3
IUPAC Name: 2-(naphthalene-2-carbonylamino)benzoic acid
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC=CC=C3C(=O)O
InChI: InChI=1S/C18H13NO3/c20-17(19-16-8-4-3-7-15(16)18(21)22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20)(H,21,22)
InChIKey: BBJZKXXWFJLNRR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 13707619
TTD ID: D05SXU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase. Bioorg Med Chem Lett. 2006 Jan 1;16(1):88-92.