| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA496672
Max Phase: Preclinical
Molecular Formula: C6H10O7
Molecular Weight: 194.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1
Standard InChI Key: AEMOLEFTQBMNLQ-AQKNRBDQSA-N
Associated Targets(non-human)
BK polyomavirus 44 Activities
Molecule Features
| Natural Product: Yes | 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: 194.14 | Molecular Weight (Monoisotopic): 194.0427 | AlogP: -3.13 | #Rotatable Bonds: 1 |
| Polar Surface Area: 127.45 | Molecular Species: ACID | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.21 | CX Basic pKa: | CX LogP: -2.61 | CX LogD: -6.06 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.30 | Np Likeness Score: 2.02 |
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):