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3-(2-Chloro-10H-phenothiazin-10-yl)propenamide ID: ALA5178201
Chembl Id: CHEMBL5178201
PubChem CID: 168275063
Max Phase: Preclinical
Molecular Formula: C15H13ClN2OS
Molecular Weight: 304.80
Associated Items:
Names and Identifiers Canonical SMILES: NC(=O)CCN1c2ccccc2Sc2ccc(Cl)cc21
Standard InChI: InChI=1S/C15H13ClN2OS/c16-10-5-6-14-12(9-10)18(8-7-15(17)19)11-3-1-2-4-13(11)20-14/h1-6,9H,7-8H2,(H2,17,19)
Standard InChI Key: WRMCBOCFLXQYOQ-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 304.80Molecular Weight (Monoisotopic): 304.0437AlogP: 3.82#Rotatable Bonds: 3Polar Surface Area: 46.33Molecular Species: NEUTRALHBA: 3HBD: 1#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 3.36CX LogD: 3.36Aromatic Rings: 2Heavy Atoms: 20QED Weighted: 0.94Np Likeness Score: -1.49
References 1. Staerz SD, Jones CL, Tepe JJ.. (2022) Design, Synthesis, and Biological Evaluation of Potent 20S Proteasome Activators for the Potential Treatment of α-Synucleinopathies., 65 (9.0): [PMID:35476454 ] [10.1021/acs.jmedchem.1c02158 ]