| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4797973
Max Phase: Preclinical
Molecular Formula: C23H20N2O3
Molecular Weight: 372.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(-c2cnc3cc(-c4ccncc4)ccc3c2)cc(OC)c1OC
Standard InChI: InChI=1S/C23H20N2O3/c1-26-21-12-18(13-22(27-2)23(21)28-3)19-10-17-5-4-16(11-20(17)25-14-19)15-6-8-24-9-7-15/h4-14H,1-3H3
Standard InChI Key: ZGGVZWZAZUBRKG-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase GAK 1150 Activities
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: 372.42 | Molecular Weight (Monoisotopic): 372.1474 | AlogP: 4.99 | #Rotatable Bonds: 5 |
| Polar Surface Area: 53.47 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.05 | CX LogP: 3.73 | CX LogD: 3.73 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.49 | Np Likeness Score: -0.39 |
References
| 1. Asquith CRM,Treiber DK,Zuercher WJ. (2019) Utilizing comprehensive and mini-kinome panels to optimize the selectivity of quinoline inhibitors for cyclin G associated kinase (GAK)., 29 (14.0): [PMID:31129055] [10.1016/j.bmcl.2019.05.025] |
Source
Source(1):