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ID: ALA1490738
Max Phase: Preclinical
Molecular Formula: C15H13FN2O2
Molecular Weight: 272.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C(=N)NOC(=O)c2ccc(F)cc2)cc1
Standard InChI: InChI=1S/C15H13FN2O2/c1-10-2-4-11(5-3-10)14(17)18-20-15(19)12-6-8-13(16)9-7-12/h2-9H,1H3,(H2,17,18)
Standard InChI Key: UHOUTQDPMVNNCK-UHFFFAOYSA-N
Associated Targets(Human)
microRNA 21 64692 Activities
Survival motor neuron protein 34246 Activities
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Nuclear factor erythroid 2-related factor 2 95332 Activities
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Cellular tumor antigen p53 48468 Activities
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ATPase family AAA domain-containing protein 5 122566 Activities
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HEK293 82097 Activities
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Breast cancer type 1 susceptibility protein 15908 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
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TAR DNA-binding protein 43 40113 Activities
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Alpha-synuclein 10960 Activities
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Associated Targets(non-human)
Saccharomyces cerevisiae 19171 Activities
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Cruzipain 33337 Activities
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Nonstructural protein 1 33327 Activities
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Citrate synthase, peroxisomal 26 Activities
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Plasmodium falciparum 966862 Activities
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Luciferin 4-monooxygenase 66902 Activities
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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 |
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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: 272.28 | Molecular Weight (Monoisotopic): 272.0961 | AlogP: 2.82 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.18 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.45 | CX LogP: 3.81 | CX LogD: 3.48 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.50 | Np Likeness Score: -0.90 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):