Details of the Drug

General Information of Drug (ID: DMSNZV1)

Drug Name

N-(4-bromo-2-methylphenyl)-2-naphthamide

Synonyms

N-(4-bromo-2-methylphenyl)-2-naphthamide; N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide; 429627-41-8; naphthamide compound 2; AC1LGMF3; ChemBridge compound no. 2; CHEMBL217951; CTK1C8257; BDBM14710; DTXSID40356417; MolPort-002-208-677; ZINC342068; STK222653; AKOS000202277; MCULE-5174732523; AG-670/40742092; 2-Naphthalenecarboxamide, N-(4-bromo-2-methylphenyl)-

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)

340.2

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C18H14BrNO
IUPAC Name: N-(4-bromo-2-methylphenyl)naphthalene-2-carboxamide
Canonical SMILES: CC1=C(C=CC(=C1)Br)NC(=O)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C18H14BrNO/c1-12-10-16(19)8-9-17(12)20-18(21)15-7-6-13-4-2-3-5-14(13)11-15/h2-11H,1H3,(H,20,21)
InChIKey: QDOYRUBXBHREAH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 823850
CAS Number: 429627-41-8
TTD ID: D01NWQ

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	Design and synthesis of potent inhibitors of the malaria parasite dihydroorotate dehydrogenase. J Med Chem. 2007 Jan 25;50(2):186-91.