| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5196629
Max Phase: Preclinical
Molecular Formula: C19H12F2N2O2
Molecular Weight: 338.31
Associated Items:
Representations
Canonical SMILES: Oc1ccc(-c2cnc3[nH]cc(-c4ccc(F)c(F)c4)c3c2)cc1O
Standard InChI: InChI=1S/C19H12F2N2O2/c20-15-3-1-11(6-16(15)21)14-9-23-19-13(14)5-12(8-22-19)10-2-4-17(24)18(25)7-10/h1-9,24-25H,(H,22,23)
Standard InChI Key: SZRVXIVKDKMTQJ-UHFFFAOYSA-N
Associated Targets(non-human)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1629 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: 338.31 | Molecular Weight (Monoisotopic): 338.0867 | AlogP: 4.59 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.14 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.16 | CX Basic pKa: 2.96 | CX LogP: 4.19 | CX LogD: 4.19 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.47 | Np Likeness Score: -0.50 |
References
| 1. Liu T, Wang Y, Wang J, Ren C, Chen H, Zhang J.. (2022) DYRK1A inhibitors for disease therapy: Current status and perspectives., 229 [PMID:34954592] [10.1016/j.ejmech.2021.114062] |
Source
Source(1):