Details of the Drug

General Information of Drug (ID: DMFK0GM)

Drug Name

2-(2-bromo-2-naphthamido)benzoic acid

Synonyms

CHEMBL199574; SCHEMBL18120563; BDBM16096; 2-[(6-bromonaphthalene-2-)amido]benzoic acid; 2-{[(6-bromonaphthalen-2-yl)carbonyl]amino}benzoic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

370.2

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H12BrNO3
IUPAC Name: 2-[(6-bromonaphthalene-2-carbonyl)amino]benzoic acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)Br
InChI: InChI=1S/C18H12BrNO3/c19-14-8-7-11-9-13(6-5-12(11)10-14)17(21)20-16-4-2-1-3-15(16)18(22)23/h1-10H,(H,20,21)(H,22,23)
InChIKey: KNVPXLPBRSRJCV-UHFFFAOYSA-N

Cross-matching ID

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

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.