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ID: ALA5273609
Max Phase: Preclinical
Molecular Formula: C11H15N5O3
Molecular Weight: 265.27
Associated Items:
Representations
Canonical SMILES: Nc1ncnn2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)ccc12
Standard InChI: InChI=1S/C11H15N5O3/c12-11-7-2-1-6(16(7)14-4-13-11)8-10(19)9(18)5(3-17)15-8/h1-2,4-5,8-10,15,17-19H,3H2,(H2,12,13,14)/t5-,8+,9-,10+/m1/s1
Standard InChI Key: FTOYHDILRSXLKF-NZENMJELSA-N
Associated Targets(Human)
Huh-7 12904 Activities
Associated Targets(non-human)
dengue virus type 2 2400 Activities
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Yellow fever virus 1530 Activities
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Zika virus 1028 Activities
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Vero 76 245 Activities
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Influenza A virus 11224 Activities
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MDCK 10148 Activities
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Middle East respiratory syndrome-related coronavirus 220 Activities
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Rift Valley fever virus 132 Activities
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Influenza B virus 2113 Activities
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Junin virus 193 Activities
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La Crosse virus 130 Activities
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Oropouche virus 2 Activities
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Pichinde virus 130 Activities
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Punta Toro virus 1491 Activities
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Tacaribe virus 95 Activities
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Heartland virus 1 Activities
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Mammarenavirus choriomeningitidis 24 Activities
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Orthohantavirus maporalense 1 Activities
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Severe fever with thrombocytopenia syndrome virus 2 Activities
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Vero C1008 1716 Activities
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Vero 26788 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: 265.27 | Molecular Weight (Monoisotopic): 265.1175 | AlogP: -1.96 | #Rotatable Bonds: 2 |
| Polar Surface Area: 128.93 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.14 | CX Basic pKa: 8.07 | CX LogP: -1.96 | CX LogD: -2.71 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.43 | Np Likeness Score: 0.37 |
References
| 1. Sparrow KJ, Shrestha R, Wood JM, Clinch K, Hurst BL, Wang H, Gowen BB, Julander JG, Tarbet EB, McSweeney AM, Ward VK, Evans GB, Harris LD.. (2023) An Isomer of Galidesivir That Potently Inhibits Influenza Viruses and Members of the Bunyavirales Order., 14 (4): [PMID:37077387] [10.1021/acsmedchemlett.3c00048] |
Source
Source(1):