| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5202010
Max Phase: Preclinical
Molecular Formula: C19H17FN8O2
Molecular Weight: 408.40
Associated Items:
Representations
Canonical SMILES: COc1ncnn2ccc(-c3cnc4nc(C)n(Cc5nnc([C@@H](C)F)o5)c4c3)c12
Standard InChI: InChI=1S/C19H17FN8O2/c1-10(20)18-26-25-15(30-18)8-27-11(2)24-17-14(27)6-12(7-21-17)13-4-5-28-16(13)19(29-3)22-9-23-28/h4-7,9-10H,8H2,1-3H3/t10-/m1/s1
Standard InChI Key: OENNTZBJPRRGFL-SNVBAGLBSA-N
Associated Targets(Human)
Dual specificity protein kinase CLK2 3942 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: 408.40 | Molecular Weight (Monoisotopic): 408.1459 | AlogP: 2.92 | #Rotatable Bonds: 5 |
| Polar Surface Area: 109.05 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.09 | CX LogP: 1.17 | CX LogD: 1.17 |
| Aromatic Rings: 5 | Heavy Atoms: 30 | QED Weighted: 0.44 | Np Likeness Score: -1.60 |
References
| 1. Tang J, Xie Y, Huang J, Zhang L, Jiang W, Li Z, Bian J.. (2022) A critical update on the strategies towards small molecule inhibitors targeting Serine/arginine-rich (SR) proteins and Serine/arginine-rich proteins related kinases in alternative splicing., 70 [PMID:35863237] [10.1016/j.bmc.2022.116921] |
Source
Source(1):