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ID: ALA5172422
Max Phase: Preclinical
Molecular Formula: C8H12N4O5
Molecular Weight: 244.21
Associated Items:
ID: ALA5172422
Max Phase: Preclinical
Molecular Formula: C8H12N4O5
Molecular Weight: 244.21
Associated Items:
Canonical SMILES: NC(=O)c1n[nH]nc1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
Standard InChI: InChI=1S/C8H12N4O5/c9-8(16)4-3(10-12-11-4)7-6(15)5(14)2(1-13)17-7/h2,5-7,13-15H,1H2,(H2,9,16)(H,10,11,12)/t2-,5-,6-,7+/m0/s1
Standard InChI Key: IJUOARZYZPGODW-PICIFPFTSA-N
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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 |
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 244.21 | Molecular Weight (Monoisotopic): 244.0808 | AlogP: -2.94 | #Rotatable Bonds: 3 |
Polar Surface Area: 154.58 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 5 |
#RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
CX Acidic pKa: 8.31 | CX Basic pKa: | CX LogP: -3.16 | CX LogD: -3.20 |
Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.38 | Np Likeness Score: 0.83 |
1. Gonzalez S, Brzuska G, Ouarti A, Gallier F, Solarte C, Ferry A, Uziel J, Krol E, Lubin-Germain N.. (2022) Anti-HCV and Zika activities of ribavirin C-nucleosides analogues., 68 [PMID:35661850] [10.1016/j.bmc.2022.116858] |
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