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ID: ALA1610299
Max Phase: Preclinical
Molecular Formula: C23H34N2O4
Molecular Weight: 402.54
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CCOC(=O)C1(CC2CCCCO2)CCN(C(=O)Nc2ccc(C)c(C)c2)CC1
Standard InChI: InChI=1S/C23H34N2O4/c1-4-28-21(26)23(16-20-7-5-6-14-29-20)10-12-25(13-11-23)22(27)24-19-9-8-17(2)18(3)15-19/h8-9,15,20H,4-7,10-14,16H2,1-3H3,(H,24,27)
Standard InChI Key: IAURZOMTDMZJNW-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
Properties Molecular Weight: 402.54Molecular Weight (Monoisotopic): 402.2519AlogP: 4.44#Rotatable Bonds: 5Polar Surface Area: 67.87Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: 0HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 13.80CX Basic pKa: CX LogP: 4.04CX LogD: 4.04Aromatic Rings: 1Heavy Atoms: 29QED Weighted: 0.74Np Likeness Score: -1.17
References 1. PubChem BioAssay data set,
