Details of the Drug

General Information of Drug (ID: DM2TFJE)

Drug Name

N-(5-chlorobenzo[d]oxazol-2-yl)benzenesulfonamide

Synonyms

CHEMBL207096; N-(5-chlorobenzo[d]oxazol-2-yl)benzenesulfonamide

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)

308.74

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C13H9ClN2O3S
IUPAC Name: N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide
Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(O2)C=CC(=C3)Cl
InChI: InChI=1S/C13H9ClN2O3S/c14-9-6-7-12-11(8-9)15-13(19-12)16-20(17,18)10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKey: AGIHDQSDUKQVDK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fructose-1,6-bisphosphatase (FBP)	TTWHDVK	F16P1_HUMAN ; F16P2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1807-10.