The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
SID49644487 ID: ALA1600599
Chembl Id: CHEMBL1600599
PubChem CID: 24747075
Max Phase: Preclinical
Molecular Formula: C23H24N4O3
Molecular Weight: 404.47
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: COc1cc(OC)cc(C(=O)NCCNc2nc3cc(C)cc(C)c3cc2C#N)c1
Standard InChI: InChI=1S/C23H24N4O3/c1-14-7-15(2)20-11-17(13-24)22(27-21(20)8-14)25-5-6-26-23(28)16-9-18(29-3)12-19(10-16)30-4/h7-12H,5-6H2,1-4H3,(H,25,27)(H,26,28)
Standard InChI Key: LBKJRDXDDKJTEG-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: 404.47Molecular Weight (Monoisotopic): 404.1848AlogP: 3.58#Rotatable Bonds: 7Polar Surface Area: 96.27Molecular Species: NEUTRALHBA: 6HBD: 2#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 3.15CX LogP: 3.64CX LogD: 3.64Aromatic Rings: 3Heavy Atoms: 30QED Weighted: 0.58Np Likeness Score: -1.45
References 1. PubChem BioAssay data set, 2. PubChem BioAssay data set,
