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ID: ALA1734383
Max Phase: Preclinical
Molecular Formula: C18H14N2O2
Molecular Weight: 290.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1ccccc1C=NN=Cc1c(O)ccc2ccccc12
Standard InChI: InChI=1S/C18H14N2O2/c21-17-8-4-2-6-14(17)11-19-20-12-16-15-7-3-1-5-13(15)9-10-18(16)22/h1-12,21-22H
Standard InChI Key: PHRNPTKIRJLLDZ-UHFFFAOYSA-N
Associated Targets(Human)
Tumor susceptibility gene 101 protein 2874 Activities
Importin subunit beta-1/Snurportin-1 25097 Activities
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GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 Activities
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Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein 4148 Activities
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DNA dC->dU-editing enzyme APOBEC-3F 14861 Activities
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Nuclear factor erythroid 2-related factor 2 95332 Activities
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Ataxin-2 54410 Activities
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Glucagon-like peptide 1 receptor 111429 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
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Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 36611 Activities
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Tyrosyl-DNA phosphodiesterase 1 345557 Activities
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Associated Targets(non-human)
mRNA interferase MazF 968 Activities
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Latent membrane protein 1 726 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: 290.32 | Molecular Weight (Monoisotopic): 290.1055 | AlogP: 3.70 | #Rotatable Bonds: 3 |
| Polar Surface Area: 65.18 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.27 | CX Basic pKa: | CX LogP: 3.82 | CX LogD: 3.77 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.57 | Np Likeness Score: -0.37 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):