| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277845
Max Phase: Preclinical
Molecular Formula: C23H23N9O2S
Molecular Weight: 489.57
Associated Items:
Representations
Canonical SMILES: CN(c1ncccc1CNc1cnc(-c2nc3cc(-c4cnn(C)c4)ccc3[nH]2)nc1)S(C)(=O)=O
Standard InChI: InChI=1S/C23H23N9O2S/c1-31-14-17(11-28-31)15-6-7-19-20(9-15)30-22(29-19)21-26-12-18(13-27-21)25-10-16-5-4-8-24-23(16)32(2)35(3,33)34/h4-9,11-14,25H,10H2,1-3H3,(H,29,30)
Standard InChI Key: KRAVUGDDDABQSG-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: 489.57 | Molecular Weight (Monoisotopic): 489.1695 | AlogP: 2.82 | #Rotatable Bonds: 7 |
| Polar Surface Area: 134.58 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.33 | CX Basic pKa: 1.83 | CX LogP: 1.59 | CX LogD: 1.59 |
| Aromatic Rings: 5 | Heavy Atoms: 35 | QED Weighted: 0.36 | Np Likeness Score: -1.87 |
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):