| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4871372
Max Phase: Preclinical
Molecular Formula: C20H15N3O3
Molecular Weight: 345.36
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1C1=C(Nc2cccc3cccnc23)C(=O)NC1=O
Standard InChI: InChI=1S/C20H15N3O3/c1-26-15-10-3-2-8-13(15)16-18(20(25)23-19(16)24)22-14-9-4-6-12-7-5-11-21-17(12)14/h2-11H,1H3,(H2,22,23,24,25)
Standard InChI Key: ZZHQVFGHSCTUGB-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase 2 1640 Activities
Serine/threonine-protein kinase 10 2119 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 345.36 | Molecular Weight (Monoisotopic): 345.1113 | AlogP: 2.72 | #Rotatable Bonds: 4 |
| Polar Surface Area: 80.32 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.55 | CX Basic pKa: 2.99 | CX LogP: 1.95 | CX LogD: 1.94 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.71 | Np Likeness Score: -0.46 |
References
| 1. Serafim RAM, Sorrell FJ, Berger BT, Collins RJ, Vasconcelos SNS, Massirer KB, Knapp S, Bennett J, Fedorov O, Patel H, Zuercher WJ, Elkins JM.. (2021) Discovery of a Potent Dual SLK/STK10 Inhibitor Based on a Maleimide Scaffold., 64 (18.0): [PMID:34463505] [10.1021/acs.jmedchem.0c01579] |
Source
Source(1):