| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266685
Max Phase: Preclinical
Molecular Formula: C26H19ClN2O3
Molecular Weight: 442.90
Associated Items:
Representations
Canonical SMILES: CC(NC(=O)c1ccc2occc2c1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Standard InChI: InChI=1S/C26H19ClN2O3/c1-16(28-25(30)19-10-11-23-17(14-19)12-13-32-23)22-15-18-6-5-9-21(27)24(18)26(31)29(22)20-7-3-2-4-8-20/h2-16H,1H3,(H,28,30)
Standard InChI Key: GRIRYIJSFQFXRQ-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 |
|---|
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 |
|---|
Properties
| Molecular Weight: 442.90 | Molecular Weight (Monoisotopic): 442.1084 | AlogP: 5.88 | #Rotatable Bonds: 4 |
| Polar Surface Area: 64.24 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.11 | CX LogD: 5.11 |
| Aromatic Rings: 5 | Heavy Atoms: 32 | QED Weighted: 0.38 | Np Likeness Score: -0.79 |
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):