| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Cytosporin L
ID: ALA5277335
Chembl Id: CHEMBL5277335
Max Phase: Preclinical
Molecular Formula: C19H32O6
Molecular Weight: 356.46
Associated Items:
Names and Identifiers
Canonical SMILES: CCCCC/C=C/C1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@]2(O)[C@H](O)[C@@H]1O
Standard InChI: InChI=1S/C19H32O6/c1-4-5-6-7-8-9-12-13(11-20)17-19(24,16(23)15(12)22)10-14(21)18(2,3)25-17/h8-9,14-17,20-24H,4-7,10-11H2,1-3H3/b9-8+/t14-,15+,16+,17-,19-/m0/s1
Standard InChI Key: YIJNGBSLCYIZDT-VIGMTATBSA-N
Alternative Forms
Associated Targets(non-human)
Respiratory syncytial virus (3434 Activities)
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Calculated Properties
| Molecular Weight: 356.46 | Molecular Weight (Monoisotopic): 356.2199 | AlogP: 0.81 | #Rotatable Bonds: 6 |
| Polar Surface Area: 110.38 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.40 | CX Basic pKa: | CX LogP: 0.04 | CX LogD: 0.04 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.45 | Np Likeness Score: 2.40 |
References
| 1. Yi M, Lin S, Zhang B, Jin H, Ding L.. (2020) Antiviral potential of natural products from marine microbes., 207 [PMID:32937282] [10.1016/j.ejmech.2020.112790] |
Source
Source(1):