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SID24800100 ID: ALA1391647
Chembl Id: CHEMBL1391647
PubChem CID: 16191769
Max Phase: Preclinical
Molecular Formula: C23H26N4O
Molecular Weight: 374.49
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1ccc(-n2cc(CN3CCNC(=O)CC3)c(-c3cccc(C)c3)n2)cc1
Standard InChI: InChI=1S/C23H26N4O/c1-17-6-8-21(9-7-17)27-16-20(15-26-12-10-22(28)24-11-13-26)23(25-27)19-5-3-4-18(2)14-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,28)
Standard InChI Key: ODRAMVUQKAPBOV-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: 374.49Molecular Weight (Monoisotopic): 374.2107AlogP: 3.48#Rotatable Bonds: 4Polar Surface Area: 50.16Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 7.94CX LogP: 4.02CX LogD: 3.37Aromatic Rings: 3Heavy Atoms: 28QED Weighted: 0.76Np Likeness Score: -1.93
References 1. PubChem BioAssay data set,
