| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4868408
Max Phase: Preclinical
Molecular Formula: C13H13N3
Molecular Weight: 211.27
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCNc1ccnc2ccc(C#N)cc12
Standard InChI: InChI=1S/C13H13N3/c1-2-6-15-13-5-7-16-12-4-3-10(9-14)8-11(12)13/h3-5,7-8H,2,6H2,1H3,(H,15,16)
Standard InChI Key: QMNWWKIIENYLSM-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: 211.27 | Molecular Weight (Monoisotopic): 211.1109 | AlogP: 2.93 | #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: 7.92 | CX LogP: 2.34 | CX LogD: 1.77 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.85 | Np Likeness Score: -1.76 |
References
| 1. (2020) Quinoline-based compounds and methods of inhibiting cdk8/19, |
Source
Source(1):