| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5279689
Max Phase: Preclinical
Molecular Formula: C19H26N8O2
Molecular Weight: 398.47
Associated Items:
Representations
Canonical SMILES: C=CC(=O)N1CCC(N2NC(c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)C1
Standard InChI: InChI=1S/C19H26N8O2/c1-5-14(28)26-7-6-11(9-26)27-18-15(17(20)21-10-22-18)16(24-27)12-8-13(19(2,3)29)25(4)23-12/h5,8,10-11,16,24,29H,1,6-7,9H2,2-4H3,(H2,20,21,22)
Standard InChI Key: WFCGAUUHSJDNBF-UHFFFAOYSA-N
Associated Targets(Human)
Tyrosine-protein kinase JAK2 12915 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: 398.47 | Molecular Weight (Monoisotopic): 398.2179 | AlogP: 0.22 | #Rotatable Bonds: 4 |
| Polar Surface Area: 125.43 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.15 | CX LogP: 0.07 | CX LogD: -0.73 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.62 | Np Likeness Score: -0.68 |
References
| 1. Asati V, Anant A, Patel P, Kaur K, Gupta GD.. (2021) Pyrazolopyrimidines as anticancer agents: A review on structural and target-based approaches., 225 [PMID:34438126] [10.1016/j.ejmech.2021.113781] |
Source
Source(1):