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ID: ALA4785650
Max Phase: Preclinical
Molecular Formula: C19H23N7O2
Molecular Weight: 381.44
Molecule Type: Unknown
Associated Items:
Representations Canonical SMILES: CN1CCN(CCCNc2ncc3cc4cnccc4c([N+](=O)[O-])c3n2)CC1
Standard InChI: InChI=1S/C19H23N7O2/c1-24-7-9-25(10-8-24)6-2-4-21-19-22-13-15-11-14-12-20-5-3-16(14)18(26(27)28)17(15)23-19/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,23)
Standard InChI Key: LQYZPOJQAKCFFO-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-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: 381.44Molecular Weight (Monoisotopic): 381.1913AlogP: 2.14#Rotatable Bonds: 6Polar Surface Area: 100.32Molecular Species: NEUTRALHBA: 8HBD: 1#RO5 Violations: 0HBA (Lipinski): 9HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 8.04CX LogP: 1.21CX LogD: 0.48Aromatic Rings: 3Heavy Atoms: 28QED Weighted: 0.30Np Likeness Score: -1.29
References 1. Tazarki H,Zeinyeh W,Esvan YJ,Knapp S,Chatterjee D,Schröder M,Joerger AC,Khiari J,Josselin B,Baratte B,Bach S,Ruchaud S,Anizon F,Giraud F,Moreau P. (2019) New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis., 166 [PMID:30731399 ] [10.1016/j.ejmech.2019.01.052 ]
