| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5281587
Max Phase: Preclinical
Molecular Formula: C10H9ClN4
Molecular Weight: 220.66
Associated Items:
Representations
Canonical SMILES: Nc1ccc(-c2cnc(Cl)c(N)c2)cn1
Standard InChI: InChI=1S/C10H9ClN4/c11-10-8(12)3-7(5-15-10)6-1-2-9(13)14-4-6/h1-5H,12H2,(H2,13,14)
Standard InChI Key: FHARCAKMRAVLEB-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: 220.66 | Molecular Weight (Monoisotopic): 220.0516 | AlogP: 1.96 | #Rotatable Bonds: 1 |
| Polar Surface Area: 77.82 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.24 | CX LogP: 0.95 | CX LogD: 0.92 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.72 | Np Likeness Score: -0.30 |
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):