| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5196246
Max Phase: Preclinical
Molecular Formula: C25H28F3N5O2
Molecular Weight: 487.53
Associated Items:
Representations
Canonical SMILES: CN(C)CCN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(-c3ccncc3)o2)CC1
Standard InChI: InChI=1S/C25H28F3N5O2/c1-31(2)11-12-32-13-15-33(16-14-32)21-4-3-19(25(26,27)28)17-20(21)30-24(34)23-6-5-22(35-23)18-7-9-29-10-8-18/h3-10,17H,11-16H2,1-2H3,(H,30,34)
Standard InChI Key: ALLIMXLDTJFWHR-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase SRPK1 2359 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: 487.53 | Molecular Weight (Monoisotopic): 487.2195 | AlogP: 4.30 | #Rotatable Bonds: 7 |
| Polar Surface Area: 64.85 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.69 | CX Basic pKa: 8.74 | CX LogP: 3.33 | CX LogD: 1.97 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.54 | Np Likeness Score: -1.96 |
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):