| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5279005
Max Phase: Preclinical
Molecular Formula: C22H25N7O2S
Molecular Weight: 451.56
Associated Items:
Representations
Canonical SMILES: CC(C)c1ccc2[nH]c(-c3ncc(NCc4cccnc4N(C)S(C)(=O)=O)cn3)nc2c1
Standard InChI: InChI=1S/C22H25N7O2S/c1-14(2)15-7-8-18-19(10-15)28-21(27-18)20-25-12-17(13-26-20)24-11-16-6-5-9-23-22(16)29(3)32(4,30)31/h5-10,12-14,24H,11H2,1-4H3,(H,27,28)
Standard InChI Key: HJFKHTMVRLNXHM-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: 451.56 | Molecular Weight (Monoisotopic): 451.1790 | AlogP: 3.55 | #Rotatable Bonds: 7 |
| 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: 9.77 | CX Basic pKa: 0.29 | CX LogP: 2.82 | CX LogD: 2.82 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.44 | Np Likeness Score: -1.52 |
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):