| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5284522
Max Phase: Preclinical
Molecular Formula: C20H21N7O2S
Molecular Weight: 423.50
Associated Items:
Representations
Canonical SMILES: Cc1ccc2nc(-c3ncc(NCc4cccnc4N(C)S(C)(=O)=O)cn3)[nH]c2c1
Standard InChI: InChI=1S/C20H21N7O2S/c1-13-6-7-16-17(9-13)26-19(25-16)18-23-11-15(12-24-18)22-10-14-5-4-8-21-20(14)27(2)30(3,28)29/h4-9,11-12,22H,10H2,1-3H3,(H,25,26)
Standard InChI Key: GQWLGJJHBGWKLE-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: 423.50 | Molecular Weight (Monoisotopic): 423.1477 | AlogP: 2.73 | #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: 9.76 | CX Basic pKa: 0.25 | CX LogP: 2.09 | CX LogD: 2.09 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.49 | Np Likeness Score: -1.70 |
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):