| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272410
Max Phase: Preclinical
Molecular Formula: C10H8ClN3
Molecular Weight: 205.65
Associated Items:
Representations
Canonical SMILES: Nc1ccc(-c2ccc(Cl)nc2)cn1
Standard InChI: InChI=1S/C10H8ClN3/c11-9-3-1-7(5-13-9)8-2-4-10(12)14-6-8/h1-6H,(H2,12,14)
Standard InChI Key: TYYJYMGEQUZGJK-UHFFFAOYSA-N
Associated Targets(Human)
PI3-kinase p110-delta subunit 6699 Activities
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: 205.65 | Molecular Weight (Monoisotopic): 205.0407 | AlogP: 2.38 | #Rotatable Bonds: 1 |
| Polar Surface Area: 51.80 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.25 | CX LogP: 1.77 | CX LogD: 1.75 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.73 | Np Likeness Score: -0.42 |
References
| 1. Yang C, Gong Y, Gao Y, Deng M, Liu X, Yang Y, Ling Y, Jia Y, Zhou Y.. (2023) Design, synthesis and in vitro biological evaluation of 2-aminopyridine derivatives as novel PI3Kδ inhibitors for hematological cancer., 82 [PMID:36706844] [10.1016/j.bmcl.2023.129152] |
Source
Source(1):