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(S)-diphenyl2-chloro-1-hydroxy-1-(4-chlorophenyl)ethylphosphonate ID: ALA3098875
Chembl Id: CHEMBL3098875
PubChem CID: 72948067
Max Phase: Preclinical
Molecular Formula: C20H17Cl2O4P
Molecular Weight: 423.23
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=P(Oc1ccccc1)(Oc1ccccc1)[C@](O)(CCl)c1ccc(Cl)cc1
Standard InChI: InChI=1S/C20H17Cl2O4P/c21-15-20(23,16-11-13-17(22)14-12-16)27(24,25-18-7-3-1-4-8-18)26-19-9-5-2-6-10-19/h1-14,23H,15H2/t20-/m1/s1
Standard InChI Key: CLOLHBYRBPQONJ-HXUWFJFHSA-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: 423.23Molecular Weight (Monoisotopic): 422.0242AlogP: 6.08#Rotatable Bonds: 7Polar Surface Area: 55.76Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: 1HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): 1CX Acidic pKa: 10.76CX Basic pKa: ┄CX LogP: 6.32CX LogD: 6.32Aromatic Rings: 3Heavy Atoms: 27QED Weighted: 0.37Np Likeness Score: -0.25
References 1. Faísca Phillips AM, Barros MT, Pacheco M, Dias R.. (2014) Synthesis and biological evaluation of α-hydroxyalkylphosphonates as new antimicrobial agents., 24 (1): [PMID:24360606 ] [10.1016/j.bmcl.2013.12.002 ]