2-(2-ethylpyridin-4-yl)-4-p-tolylthiazole

ID: ALA1824658

Chembl Id: CHEMBL1824658

PubChem CID: 25013390

Max Phase: Preclinical

Molecular Formula: C17H16N2S

Molecular Weight: 280.40

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  CCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1

Standard InChI:  InChI=1S/C17H16N2S/c1-3-15-10-14(8-9-18-15)17-19-16(11-20-17)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3

Standard InChI Key:  WAUMGXOXXFKMTR-UHFFFAOYSA-N

Alternative Forms

Associated Targets(Human)

SREBF2 Tchem Sterol regulatory element-binding protein 2 (50 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SREBF1 Tchem Sterol regulatory element-binding protein 1 (57 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: 280.40Molecular Weight (Monoisotopic): 280.1034AlogP: 4.74#Rotatable Bonds: 3
Polar Surface Area: 25.78Molecular Species: NEUTRALHBA: 3HBD:
#RO5 Violations: HBA (Lipinski): 2HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 3.91CX LogP: 4.82CX LogD: 4.82
Aromatic Rings: 3Heavy Atoms: 20QED Weighted: 0.69Np Likeness Score: -1.77

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]
2. Kawagoe F, Mendoza A, Hayata Y, Asano L, Kotake K, Mototani S, Kawamura S, Kurosaki S, Akagi Y, Takemoto Y, Nagasawa K, Nakagawa H, Uesugi M, Kittaka A..  (2021)  Discovery of a Vitamin D Receptor-Silent Vitamin D Derivative That Impairs Sterol Regulatory Element-Binding Protein In Vivo.,  64  (9.0): [PMID:33899473] [10.1021/acs.jmedchem.0c02179]

Source