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.
ID: ALA4580598
Max Phase: Preclinical
Molecular Formula: C23H25N3O2
Molecular Weight: 375.47
Molecule Type: Unknown
Associated Items:
Representations Canonical SMILES: CCn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(Cc1ccccc1)CC2
Standard InChI: InChI=1S/C23H25N3O2/c1-2-25-21-13-14-24(15-18-9-5-3-6-10-18)17-20(21)22(27)26(23(25)28)16-19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3
Standard InChI Key: APZKPWZKSRVOPA-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 375.47Molecular Weight (Monoisotopic): 375.1947AlogP: 2.64#Rotatable Bonds: 5Polar Surface Area: 47.24Molecular Species: NEUTRALHBA: 5HBD: 0#RO5 Violations: 0HBA (Lipinski): 5HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 8.06CX LogP: 2.96CX LogD: 2.21Aromatic Rings: 3Heavy Atoms: 28QED Weighted: 0.69Np Likeness Score: -1.08
References 1. Ma Z, Gao G, Fang K, Sun H.. (2019) Development of Novel Anticancer Agents with a Scaffold of Tetrahydropyrido[4,3-d ]pyrimidine-2,4-dione., 10 (2): [PMID:30783502 ] [10.1021/acsmedchemlett.8b00531 ]
