4-methyl-N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)benzenesulfonamide

ID: ALA1824675

Chembl Id: CHEMBL1824675

PubChem CID: 25013555

Max Phase: Preclinical

Molecular Formula: C24H23N3O2S2

Molecular Weight: 449.60

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)ccn1

Standard InChI:  InChI=1S/C24H23N3O2S2/c1-3-4-21-15-19(13-14-25-21)24-26-23(16-30-24)18-7-9-20(10-8-18)27-31(28,29)22-11-5-17(2)6-12-22/h5-16,27H,3-4H2,1-2H3

Standard InChI Key:  PSIIDDOTVGEEHU-UHFFFAOYSA-N

Associated Targets(Human)

SREBF2 Tchem Sterol regulatory element-binding protein 2 (50 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: 449.60Molecular Weight (Monoisotopic): 449.1232AlogP: 5.93#Rotatable Bonds: 7
Polar Surface Area: 71.95Molecular Species: NEUTRALHBA: 5HBD: 1
#RO5 Violations: 1HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): 1
CX Acidic pKa: 7.90CX Basic pKa: 3.88CX LogP: 5.75CX LogD: 5.65
Aromatic Rings: 4Heavy Atoms: 31QED Weighted: 0.38Np Likeness Score: -1.86

References

1. Kamisuki S, Shirakawa T, Kugimiya A, Abu-Elheiga L, Choo HY, Yamada K, Shimogawa H, Wakil SJ, Uesugi M..  (2011)  Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding proteins.,  54  (13): [PMID:21561152] [10.1021/jm200304y]

Source