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ID: ALA5183411
Max Phase: Preclinical
Molecular Formula: C14H11FN4
Molecular Weight: 254.27
Associated Items:
Representations
Canonical SMILES: Fc1ccc2c(c1)CCN2c1ncnc2cc[nH]c12
Standard InChI: InChI=1S/C14H11FN4/c15-10-1-2-12-9(7-10)4-6-19(12)14-13-11(3-5-16-13)17-8-18-14/h1-3,5,7-8,16H,4,6H2
Standard InChI Key: KVGHGVHKZQAQLD-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: 254.27 | Molecular Weight (Monoisotopic): 254.0968 | AlogP: 2.79 | #Rotatable Bonds: 1 |
| Polar Surface Area: 44.81 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.54 | CX Basic pKa: 4.01 | CX LogP: 2.97 | CX LogD: 2.97 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.73 | Np Likeness Score: -1.41 |
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):