| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA490226
Max Phase: Preclinical
Molecular Formula: C7H12O7
Molecular Weight: 208.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6+/m0/s1
Standard InChI Key: DICCNWCUKCYGNF-SXUWKVJYSA-N
Associated Targets(non-human)
BK polyomavirus 44 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 208.17 | Molecular Weight (Monoisotopic): 208.0583 | AlogP: -3.04 | #Rotatable Bonds: 1 |
| Polar Surface Area: 116.45 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.28 | CX Basic pKa: | CX LogP: -2.47 | CX LogD: -2.47 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.34 | Np Likeness Score: 1.86 |
References
| 1. Randhawa P, Farasati NA, Huang Y.. (2007) BK Virus replication in vitro: limited effect of drugs interfering with viral uptake and intracellular transport., 51 (12): [PMID:17893158] [10.1128/aac.00843-07] |
Source
Source(1):