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SID49826088 ID: ALA1500082
Chembl Id: CHEMBL1500082
PubChem CID: 2994220
Max Phase: Preclinical
Molecular Formula: C24H24N2O3
Molecular Weight: 388.47
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cccc(NC(=O)COc2ccccc2C(=O)NC(C)c2ccccc2)c1
Standard InChI: InChI=1S/C24H24N2O3/c1-17-9-8-12-20(15-17)26-23(27)16-29-22-14-7-6-13-21(22)24(28)25-18(2)19-10-4-3-5-11-19/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27)
Standard InChI Key: QZDHEWGTASJOAW-UHFFFAOYSA-N
Associated Targets(Human) 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: 388.47Molecular Weight (Monoisotopic): 388.1787AlogP: 4.50#Rotatable Bonds: 7Polar Surface Area: 67.43Molecular Species: NEUTRALHBA: 3HBD: 2#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 12.57CX Basic pKa: ┄CX LogP: 4.46CX LogD: 4.46Aromatic Rings: 3Heavy Atoms: 29QED Weighted: 0.63Np Likeness Score: -1.76
References 1. PubChem BioAssay data set,
