| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5184155
Max Phase: Preclinical
Molecular Formula: C18H19FN4O
Molecular Weight: 326.38
Associated Items:
Representations
Canonical SMILES: Cn1ccc2ncnc(Nc3ccc(F)cc3OC3CCCC3)c21
Standard InChI: InChI=1S/C18H19FN4O/c1-23-9-8-15-17(23)18(21-11-20-15)22-14-7-6-12(19)10-16(14)24-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22)
Standard InChI Key: GQPLXSNGJYAHSH-UHFFFAOYSA-N
Associated Targets(Human)
MAP kinase signal-integrating kinase 2 3518 Activities
MAP kinase-interacting serine/threonine-protein kinase MNK1 2071 Activities
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Eukaryotic translation initation factor 600 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 326.38 | Molecular Weight (Monoisotopic): 326.1543 | AlogP: 4.17 | #Rotatable Bonds: 4 |
| Polar Surface Area: 51.97 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.97 | CX LogP: 4.13 | CX LogD: 4.13 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.78 | Np Likeness Score: -0.79 |
References
| 1. Xu W, Kannan S, Verma CS, Nacro K.. (2022) Update on the Development of MNK Inhibitors as Therapeutic Agents., 65 (2.0): [PMID:34533957] [10.1021/acs.jmedchem.1c00368] |
Source
Source(1):