Details of the Drug

General Information of Drug (ID: DMOI7ME)

Drug Name

5-Fluoro-2-hydroxy-N-isopropyl-benzamide

Synonyms

CHEMBL84730; 5-Fluoro-2-hydroxy-N-isopropyl-benzamide; BDBM50084016; AKOS018088189

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)

197.21

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H12FNO2
IUPAC Name: 5-fluoro-2-hydroxy-N-propan-2-ylbenzamide
Canonical SMILES: CC(C)NC(=O)C1=C(C=CC(=C1)F)O
InChI: InChI=1S/C10H12FNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14)
InChIKey: OQHZTWFYOJLOMH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fungal Scytalone dehydratase (Fung SDH1)	TT64EPS	SCYD_MAGO7	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Binding dynamics of two water molecules constrained within the scytalone dehydratase binding pocket. Bioorg Med Chem Lett. 2000 Jan 3;10(1):23-6.