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SID49648609 ID: ALA1306033
Chembl Id: CHEMBL1306033
PubChem CID: 24747858
Max Phase: Preclinical
Molecular Formula: C22H26N2O2
Molecular Weight: 350.46
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc2oc3cc(NCCC4CCCN4C)ccc3c(=O)c2cc1C
Standard InChI: InChI=1S/C22H26N2O2/c1-14-11-19-20(12-15(14)2)26-21-13-16(6-7-18(21)22(19)25)23-9-8-17-5-4-10-24(17)3/h6-7,11-13,17,23H,4-5,8-10H2,1-3H3
Standard InChI Key: SIDMMKXHVPHVOG-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: 350.46Molecular Weight (Monoisotopic): 350.1994AlogP: 4.46#Rotatable Bonds: 4Polar Surface Area: 45.48Molecular Species: BASEHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 8.87CX LogP: 4.00CX LogD: 2.52Aromatic Rings: 3Heavy Atoms: 26QED Weighted: 0.71Np Likeness Score: -0.33
References 1. PubChem BioAssay data set,
