ID: ALA3309501
Chembl Id: CHEMBL3309501
PubChem CID: 118705895
Max Phase: Preclinical
Molecular Formula: C19H19NO6
Molecular Weight: 357.36
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCOc1nc2ccc(OCCCOc3ccc4c(c3)OCO4)cc2o1
Standard InChI: InChI=1S/C19H19NO6/c1-2-21-19-20-15-6-4-13(10-17(15)26-19)22-8-3-9-23-14-5-7-16-18(11-14)25-12-24-16/h4-7,10-11H,2-3,8-9,12H2,1H3
Standard InChI Key: PHAUNPZZPOUTIW-UHFFFAOYSA-N
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| 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: 357.36 | Molecular Weight (Monoisotopic): 357.1212 | AlogP: 3.80 | #Rotatable Bonds: 8 |
| Polar Surface Area: 72.18 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.37 | CX LogD: 3.37 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.57 | Np Likeness Score: -0.51 |
| 1. Bernard AM, Cabiddu MG, De Montis S, Mura R, Pompei R.. (2014) Synthesis of new compounds with promising antiviral properties against group A and B Human Rhinoviruses., 22 (15): [PMID:24973816] [10.1016/j.bmc.2014.05.066] |
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