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US9079895, 23s ID: ALA3946540
Chembl Id: CHEMBL3946540
PubChem CID: 71061709
Max Phase: Preclinical
Molecular Formula: C21H25ClN2O2
Molecular Weight: 372.90
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1
Standard InChI: InChI=1S/C21H25ClN2O2/c22-18-5-3-6-19(14-18)26-16-20-15-23(12-13-25-20)10-11-24-9-8-17-4-1-2-7-21(17)24/h1-7,14,20H,8-13,15-16H2/t20-/m0/s1
Standard InChI Key: QAJBOIGVHPCSNX-FQEVSTJZSA-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: 372.90Molecular Weight (Monoisotopic): 372.1605AlogP: 3.48#Rotatable Bonds: 6Polar Surface Area: 24.94Molecular Species: NEUTRALHBA: 4HBD: 0#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 6.89CX LogP: 4.23CX LogD: 4.11Aromatic Rings: 2Heavy Atoms: 26QED Weighted: 0.77Np Likeness Score: -1.49
References 1. (2015) Morpholino compounds, uses and methods,
