N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide

ID: ALA2440208

Chembl Id: CHEMBL2440208

PubChem CID: 747919

Max Phase: Preclinical

Molecular Formula: C14H15NO3S

Molecular Weight: 277.35

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Cc1cc(O)cc(C)c1NS(=O)(=O)c1ccccc1

Standard InChI:  InChI=1S/C14H15NO3S/c1-10-8-12(16)9-11(2)14(10)15-19(17,18)13-6-4-3-5-7-13/h3-9,15-16H,1-2H3

Standard InChI Key:  GLDVWHQVGHPIFH-UHFFFAOYSA-N

Alternative Forms

Associated Targets(Human)

CYTH2 Tbio Cytohesin-2 (52 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 277.35Molecular Weight (Monoisotopic): 277.0773AlogP: 2.81#Rotatable Bonds: 3
Polar Surface Area: 66.40Molecular Species: NEUTRALHBA: 3HBD: 2
#RO5 Violations: HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski):
CX Acidic pKa: 8.18CX Basic pKa: CX LogP: 3.18CX LogD: 3.12
Aromatic Rings: 2Heavy Atoms: 19QED Weighted: 0.85Np Likeness Score: -0.96

References

1. Rouhana J, Hoh F, Estaran S, Henriquet C, Boublik Y, Kerkour A, Trouillard R, Martinez J, Pugnière M, Padilla A, Chavanieu A..  (2013)  Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors.,  56  (21): [PMID:24112024] [10.1021/jm4009357]

Source