| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4290278
Max Phase: Preclinical
Molecular Formula: C11H11N5O2
Molecular Weight: 245.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1[nH]c(NCCO)nc2ccc3[nH]ncc3c12
Standard InChI: InChI=1S/C11H11N5O2/c17-4-3-12-11-14-8-2-1-7-6(5-13-16-7)9(8)10(18)15-11/h1-2,5,17H,3-4H2,(H,13,16)(H2,12,14,15,18)
Standard InChI Key: DONONTOQROPVOB-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: 245.24 | Molecular Weight (Monoisotopic): 245.0913 | AlogP: 0.20 | #Rotatable Bonds: 3 |
| Polar Surface Area: 106.69 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.21 | CX Basic pKa: 5.40 | CX LogP: -0.59 | CX LogD: -0.60 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.53 | Np Likeness Score: -1.44 |
References
| 1. Jarhad DB, Mashelkar KK, Kim HR, Noh M, Jeong LS.. (2018) Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase 1A (DYRK1A) Inhibitors as Potential Therapeutics., 61 (22): [PMID:29985601] [10.1021/acs.jmedchem.8b00185] |
Source
Source(1):