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10-(3-Chloropropyl-)-10H-phenothiazine ID: ALA1651445
Chembl Id: CHEMBL1651445
Cas Number: 5909-59-1
PubChem CID: 12299120
Max Phase: Preclinical
Molecular Formula: C15H14ClNS
Molecular Weight: 275.80
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: ClCCCN1c2ccccc2Sc2ccccc21
Standard InChI: InChI=1S/C15H14ClNS/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,10-11H2
Standard InChI Key: DLCIJMPSJTVVHJ-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: 275.80Molecular Weight (Monoisotopic): 275.0535AlogP: 4.92#Rotatable Bonds: 3Polar Surface Area: 3.24Molecular Species: NEUTRALHBA: 2HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 1HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 4.58CX LogD: 4.58Aromatic Rings: 2Heavy Atoms: 18QED Weighted: 0.73Np 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 ]
