1-((4-Methoxyphenyl)sulfonyl)-3-(4-(trifluoromethyl)phenyl)-imidazolidin-2-one

ID: ALA4208156

Chembl Id: CHEMBL4208156

PubChem CID: 137443819

Max Phase: Preclinical

Molecular Formula: C17H15F3N2O4S

Molecular Weight: 400.38

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1ccc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1

Standard InChI:  InChI=1S/C17H15F3N2O4S/c1-26-14-6-8-15(9-7-14)27(24,25)22-11-10-21(16(22)23)13-4-2-12(3-5-13)17(18,19)20/h2-9H,10-11H2,1H3

Standard InChI Key:  ZDQVKDVGARGGFQ-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA4208156

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Associated Targets(Human)

HASMC (163 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NOX4 Tchem NADPH oxidase 4 (333 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: 400.38Molecular Weight (Monoisotopic): 400.0705AlogP: 3.34#Rotatable Bonds: 4
Polar Surface Area: 66.92Molecular Species: NEUTRALHBA: 4HBD:
#RO5 Violations: HBA (Lipinski): 6HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 3.11CX LogD: 3.11
Aromatic Rings: 2Heavy Atoms: 27QED Weighted: 0.79Np Likeness Score: -1.62

References

1. Xu Q, Kulkarni AA, Sajith AM, Hussein D, Brown D, Güner OF, Reddy MD, Watkins EB, Lassègue B, Griendling KK, Bowen JP..  (2018)  Design, synthesis, and biological evaluation of inhibitors of the NADPH oxidase, Nox4.,  26  (5): [PMID:29426628] [10.1016/j.bmc.2017.12.023]

Source