| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4787157
Max Phase: Preclinical
Molecular Formula: C14H9F3N4O3S
Molecular Weight: 370.31
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O
Standard InChI: InChI=1S/C14H9F3N4O3S/c1-24-9-5-6(2-3-8(9)22)4-7-10(18)21-13(19-11(7)23)25-12(20-21)14(15,16)17/h2-5,18,22H,1H3/b7-4-,18-10?
Standard InChI Key: CQYCTLSWCZSZBJ-HMUYFDHHSA-N
Associated Targets(Human)
Serine/threonine-protein kinase SRPK1 2359 Activities
K562 73714 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HL-60 67320 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Serine/threonine-protein kinase SRPK2 719 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 370.31 | Molecular Weight (Monoisotopic): 370.0347 | AlogP: 2.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 98.34 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.37 | CX Basic pKa: | CX LogP: 2.64 | CX LogD: 2.64 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.78 | Np Likeness Score: -1.08 |
References
| 1. Dalle Vedove A,Zonta F,Zanforlin E,Demitri N,Ribaudo G,Cazzanelli G,Ongaro A,Sarno S,Zagotto G,Battistutta R,Ruzzene M,Lolli G. (2020) A novel class of selective CK2 inhibitors targeting its open hinge conformation., 195 [PMID:32283296] [10.1016/j.ejmech.2020.112267] |
| 2. 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):