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10-(3-Chloropropionyl)-10H-phenothiazine ID: ALA1651444
Chembl Id: CHEMBL1651444
Cas Number: 4091-91-2
PubChem CID: 247674
Max Phase: Preclinical
Molecular Formula: C15H12ClNOS
Molecular Weight: 289.79
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(CCCl)N1c2ccccc2Sc2ccccc21
Standard InChI: InChI=1S/C15H12ClNOS/c16-10-9-15(18)17-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)17/h1-8H,9-10H2
Standard InChI Key: QDMBCNDXWXEIAF-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: 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: 289.79Molecular Weight (Monoisotopic): 289.0328AlogP: 4.44#Rotatable Bonds: 2Polar Surface Area: 20.31Molecular Species: NEUTRALHBA: 2HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 2HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 3.72CX LogD: 3.72Aromatic Rings: 2Heavy Atoms: 19QED Weighted: 0.76Np Likeness Score: -0.97
References 1. Sarmiento GP, Vitale RG, Afeltra J, Moltrasio GY, Moglioni AG.. (2011) Synthesis and antifungal activity of some substituted phenothiazines and related compounds., 46 (1): [PMID:21093111 ] [10.1016/j.ejmech.2010.10.019 ]
