Details of the Drug

General Information of Drug (ID: DM7BKUQ)

Drug Name

N'-(2-fluorobenzoyl)-2-naphthohydrazide

Synonyms

CHEMBL108888; N'-(2-fluorobenzoyl)naphthalene-2-carbohydrazide; NSC88634; AC1L60EG; ZINC1569432; BDBM50066318; NSC-88634; AKOS008432264; N''-(2-fluorobenzoyl)-2-naphthohydrazide; (2-Fluorophenyl)-N-(2-naphthylcarbonylamino)carboxamide; Naphthalene-2-carboxylic acid N''-(2-fluoro-benzoyl)-hydrazide

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)

308.3

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H13FN2O2
IUPAC Name: N'-(2-fluorobenzoyl)naphthalene-2-carbohydrazide
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)NNC(=O)C3=CC=CC=C3F
InChI: InChI=1S/C18H13FN2O2/c19-16-8-4-3-7-15(16)18(23)21-20-17(22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,20,22)(H,21,23)
InChIKey: BHGKYYRQGUSTGE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 259098
TTD ID: D0E4AB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium CDK Pfmrk (Malaria Pfmrk)	TTSFWA7	P90584_PLAFA	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases, Bioorg. Med. Chem. Lett. 20(13):3863-3867 (2010).