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ID: ALA1394278
Max Phase: Preclinical
Molecular Formula: C20H25N3O2
Molecular Weight: 339.44
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CN1CC[C@@]2(CCN3CCc4c(oc5ccccc45)[C@@H]3C2)N(C)C1=O
Standard InChI: InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3/t16-,20-/m0/s1
Standard InChI Key: JRDUBBHIPPPSLP-JXFKEZNVSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: YesOral: 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: 339.44Molecular Weight (Monoisotopic): 339.1947AlogP: 3.25#Rotatable Bonds: 0Polar Surface Area: 39.93Molecular Species: NEUTRALHBA: 3HBD: 0#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 7.01CX LogP: 1.27CX LogD: 1.13Aromatic Rings: 2Heavy Atoms: 25QED Weighted: 0.74Np Likeness Score: 0.26
References 1. PubChem BioAssay data set,
