| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5268208
Max Phase: Preclinical
Molecular Formula: C19H17ClFN7O2S
Molecular Weight: 461.91
Associated Items:
Representations
Canonical SMILES: CN(c1ncccc1CNc1cnc(-c2nc3cc(Cl)cc(F)c3[nH]2)nc1)S(C)(=O)=O
Standard InChI: InChI=1S/C19H17ClFN7O2S/c1-28(31(2,29)30)19-11(4-3-5-22-19)8-23-13-9-24-17(25-10-13)18-26-15-7-12(20)6-14(21)16(15)27-18/h3-7,9-10,23H,8H2,1-2H3,(H,26,27)
Standard InChI Key: BONSOYXWULCIEQ-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: 461.91 | Molecular Weight (Monoisotopic): 461.0837 | AlogP: 3.22 | #Rotatable Bonds: 6 |
| Polar Surface Area: 116.76 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.83 | CX Basic pKa: 0.19 | CX LogP: 2.30 | CX LogD: 2.19 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.45 | Np Likeness Score: -1.83 |
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):