| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4855534
Max Phase: Preclinical
Molecular Formula: C17H13N3
Molecular Weight: 259.31
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1ccc2nccc(NCc3ccccc3)c2c1
Standard InChI: InChI=1S/C17H13N3/c18-11-14-6-7-16-15(10-14)17(8-9-19-16)20-12-13-4-2-1-3-5-13/h1-10H,12H2,(H,19,20)
Standard InChI Key: BTRLFIVZTHMSKP-UHFFFAOYSA-N
Associated Targets(Human)
Cyclin-dependent kinase 8/19 99 Activities
Cell division protein kinase 8 1536 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: 259.31 | Molecular Weight (Monoisotopic): 259.1109 | AlogP: 3.72 | #Rotatable Bonds: 3 |
| Polar Surface Area: 48.71 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.88 | CX LogP: 3.18 | CX LogD: 2.63 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.78 | Np Likeness Score: -1.56 |
References
| 1. (2020) Quinoline-based compounds and methods of inhibiting cdk8/19, |
Source
Source(1):