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10-(2-chloroethyl)-10H-phenothiazine ID: ALA1651448
Chembl Id: CHEMBL1651448
Cas Number: 21786-08-3
PubChem CID: 243186
Max Phase: Preclinical
Molecular Formula: C14H12ClNS
Molecular Weight: 261.78
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: ClCCN1c2ccccc2Sc2ccccc21
Standard InChI: InChI=1S/C14H12ClNS/c15-9-10-16-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)16/h1-8H,9-10H2
Standard InChI Key: QAILPAXNHSERDB-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: 261.78Molecular Weight (Monoisotopic): 261.0379AlogP: 4.53#Rotatable Bonds: 2Polar Surface Area: 3.24Molecular Species: NEUTRALHBA: 2HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 1HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 4.52CX LogD: 4.52Aromatic Rings: 2Heavy Atoms: 17QED Weighted: 0.73Np Likeness Score: -0.95
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 ]
