1,3-bis((2,3,5-trifluorophenyl)sulfonyl)-1,3-dihydro-2H-imidazol-2-one

ID: ALA4465841

Chembl Id: CHEMBL4465841

PubChem CID: 155531503

Max Phase: Preclinical

Molecular Formula: C15H6F6N2O5S2

Molecular Weight: 472.34

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  O=c1n(S(=O)(=O)c2cc(F)cc(F)c2F)ccn1S(=O)(=O)c1cc(F)cc(F)c1F

Standard InChI:  InChI=1S/C15H6F6N2O5S2/c16-7-3-9(18)13(20)11(5-7)29(25,26)22-1-2-23(15(22)24)30(27,28)12-6-8(17)4-10(19)14(12)21/h1-6H

Standard InChI Key:  UVYGOWNBICHAIH-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA4465841

    ---

Associated Targets(Human)

A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HuCC-A1 (92 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-3 (638 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRC5 (9203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: 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: 472.34Molecular Weight (Monoisotopic): 471.9622AlogP: 1.96#Rotatable Bonds: 4
Polar Surface Area: 95.21Molecular Species: NEUTRALHBA: 7HBD:
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 3.32CX LogD: 3.32
Aromatic Rings: 3Heavy Atoms: 30QED Weighted: 0.43Np Likeness Score: -0.95

References

1. Sittihan S, Jumpathong W, Sopha P, Ruchirawat S..  (2020)  Synthesis and antitumor activity of bis(arylsulfonyl)dihydroimidazolinone derivatives.,  30  (1): [PMID:31704206] [10.1016/j.bmcl.2019.126776]

Source