| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5282219
Max Phase: Preclinical
Molecular Formula: C29H24N6O2
Molecular Weight: 488.55
Associated Items:
Representations
Canonical SMILES: CC(NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3CC3)c2c(=O)n1-c1ccccc1
Standard InChI: InChI=1S/C29H24N6O2/c1-18(32-28(36)25-26(30)33-34-16-6-15-31-27(25)34)23-17-21-8-5-7-20(14-13-19-11-12-19)24(21)29(37)35(23)22-9-3-2-4-10-22/h2-10,15-19H,11-12H2,1H3,(H2,30,33)(H,32,36)
Standard InChI Key: UTPMJAIUBACCPK-UHFFFAOYSA-N
Associated Targets(Human)
PI3-kinase p110-delta subunit 6699 Activities
PI3-kinase p110-gamma subunit 5411 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: 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 |
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Properties
| Molecular Weight: 488.55 | Molecular Weight (Monoisotopic): 488.1961 | AlogP: 3.87 | #Rotatable Bonds: 4 |
| Polar Surface Area: 107.31 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.95 | CX Basic pKa: 2.18 | CX LogP: 4.69 | CX LogD: 4.69 |
| Aromatic Rings: 5 | Heavy Atoms: 37 | QED Weighted: 0.37 | Np Likeness Score: -1.05 |
References
| 1. Liang Y, Zheng Y, Yang J, Ke J, Cheng K.. (2023) Design, synthesis and bioactivity evaluation of a series of quinazolinone derivatives as potent PI3Kγ antagonist., 84 [PMID:37011446] [10.1016/j.bmc.2023.117261] |
Source
Source(1):