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

Alternative Forms

  1. Parent:

    ALA5178201

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Associated Targets(Human)

PSMB2 Tclin 20S proteasome (530 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: 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: 304.80Molecular Weight (Monoisotopic): 304.0437AlogP: 3.82#Rotatable Bonds: 3
Polar 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: 3.36
Aromatic 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]

Source