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1-(6-hydroxynaphthalen-1-yl)-3-(3,4,5-trimethoxyphenyl)urea ID: ALA4847604
Chembl Id: CHEMBL4847604
PubChem CID: 164609952
Max Phase: Preclinical
Molecular Formula: C20H20N2O5
Molecular Weight: 368.39
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: COc1cc(NC(=O)Nc2cccc3cc(O)ccc23)cc(OC)c1OC
Standard InChI: InChI=1S/C20H20N2O5/c1-25-17-10-13(11-18(26-2)19(17)27-3)21-20(24)22-16-6-4-5-12-9-14(23)7-8-15(12)16/h4-11,23H,1-3H3,(H2,21,22,24)
Standard InChI Key: BZEBYWZYZDUJOY-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 368.39Molecular Weight (Monoisotopic): 368.1372AlogP: 4.22#Rotatable Bonds: 5Polar Surface Area: 89.05Molecular Species: NEUTRALHBA: 5HBD: 3#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.75CX Basic pKa: ┄CX LogP: 3.33CX LogD: 3.33Aromatic Rings: 3Heavy Atoms: 27QED Weighted: 0.63Np Likeness Score: -0.61
References 1. Lawson C, Ahmed Alta TB, Moschou G, Skamnaki V, Solovou TGA, Topham C, Hayes J, Snape TJ.. (2021) Novel diarylamides and diarylureas with N-substitution dependent activity against medulloblastoma., 225 [PMID:34391032 ] [10.1016/j.ejmech.2021.113751 ]