| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5282646
Max Phase: Preclinical
Molecular Formula: C26H24ClN5O3
Molecular Weight: 489.96
Associated Items:
Representations
Canonical SMILES: CC(NC(=O)c1cncc(N2CCOCC2)n1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
Standard InChI: InChI=1S/C26H24ClN5O3/c1-17(29-25(33)21-15-28-16-23(30-21)31-10-12-35-13-11-31)22-14-18-6-5-9-20(27)24(18)26(34)32(22)19-7-3-2-4-8-19/h2-9,14-17H,10-13H2,1H3,(H,29,33)
Standard InChI Key: UAUFWCZHNROVGG-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 |
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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: 489.96 | Molecular Weight (Monoisotopic): 489.1568 | AlogP: 3.76 | #Rotatable Bonds: 5 |
| Polar Surface Area: 89.35 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.76 | CX Basic pKa: 0.25 | CX LogP: 3.38 | CX LogD: 3.38 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.46 | Np Likeness Score: -1.55 |
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):