| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5288263
Max Phase: Preclinical
Molecular Formula: C20H19ClN6O2S
Molecular Weight: 442.93
Associated Items:
Representations
Canonical SMILES: CN(c1ncccc1CNc1ccc(-c2nc3cc(Cl)ccc3[nH]2)nc1)S(C)(=O)=O
Standard InChI: InChI=1S/C20H19ClN6O2S/c1-27(30(2,28)29)20-13(4-3-9-22-20)11-23-15-6-8-17(24-12-15)19-25-16-7-5-14(21)10-18(16)26-19/h3-10,12,23H,11H2,1-2H3,(H,25,26)
Standard InChI Key: KJVGRFQTNFUYNQ-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: 442.93 | Molecular Weight (Monoisotopic): 442.0979 | AlogP: 3.68 | #Rotatable Bonds: 6 |
| Polar Surface Area: 103.87 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.57 | CX Basic pKa: 2.16 | CX LogP: 2.23 | CX LogD: 2.23 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.47 | Np Likeness Score: -1.93 |
References
| 1. Sabnis RW.. (2023) Novel Serine-Arginine Protein Kinase Inhibitors for Treating Cancer., 14 (5): [PMID:37197468] [10.1021/acsmedchemlett.3c00132] |
Source
Source(1):