| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3102954
Max Phase: Preclinical
Molecular Formula: C19H14N2O4
Molecular Weight: 334.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1ccc(O)c(-c2cnc3[nH]cc(-c4ccc(O)c(O)c4)c3c2)c1
Standard InChI: InChI=1S/C19H14N2O4/c22-12-2-4-16(23)13(7-12)11-5-14-15(9-21-19(14)20-8-11)10-1-3-17(24)18(25)6-10/h1-9,22-25H,(H,20,21)
Standard InChI Key: BIAXUZOPKUTHPY-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: Small molecule | 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: 334.33 | Molecular Weight (Monoisotopic): 334.0954 | AlogP: 3.72 | #Rotatable Bonds: 2 |
| Polar Surface Area: 109.60 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.92 | CX Basic pKa: 2.82 | CX LogP: 3.30 | CX LogD: 3.29 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.28 | Np Likeness Score: 0.49 |
References
| 1. Gourdain S, Dairou J, Denhez C, Bui LC, Rodrigues-Lima F, Janel N, Delabar JM, Cariou K, Dodd RH.. (2013) Development of DANDYs, new 3,5-diaryl-7-azaindoles demonstrating potent DYRK1A kinase inhibitory activity., 56 (23): [PMID:24188002] [10.1021/jm401049v] |
Source
Source(1):