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SID17403368 ID: ALA1520655
Chembl Id: CHEMBL1520655
PubChem CID: 1842360
Max Phase: Preclinical
Molecular Formula: C19H17N3O5
Molecular Weight: 367.36
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2
Standard InChI: InChI=1S/C19H17N3O5/c1-10-6-12(7-14-17(23)20-19(25)21(3)18(14)24)11(2)22(10)13-4-5-15-16(8-13)27-9-26-15/h4-8H,9H2,1-3H3,(H,20,23,25)/b14-7+
Standard InChI Key: KTKAJJLUVLAJLW-VGOFMYFVSA-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: 367.36Molecular Weight (Monoisotopic): 367.1168AlogP: 1.91#Rotatable Bonds: 2Polar Surface Area: 89.87Molecular Species: NEUTRALHBA: 6HBD: 1#RO5 Violations: ┄HBA (Lipinski): 8HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 7.09CX Basic pKa: ┄CX LogP: 1.99CX LogD: 1.52Aromatic Rings: 2Heavy Atoms: 27QED Weighted: 0.65Np Likeness Score: -1.42
References 1. PubChem BioAssay data set,
