| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA551762
Max Phase: Preclinical
Molecular Formula: C15H17ClO5
Molecular Weight: 312.75
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1ccc(Cl)cc1)C[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
Standard InChI: InChI=1S/C15H17ClO5/c16-10-4-1-9(2-5-10)3-6-11(17)7-13-15(20)14(19)12(18)8-21-13/h1-6,12-15,18-20H,7-8H2/b6-3+/t12-,13+,14+,15+/m1/s1
Standard InChI Key: ONSPIITXJAAAAE-WTSOPZKSSA-N
Associated Targets(non-human)
Acidic alpha-glucosidase 551 Activities
Glucose-6-phosphatase 38 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Liver glycogen phosphorylase 81 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 312.75 | Molecular Weight (Monoisotopic): 312.0765 | AlogP: 0.79 | #Rotatable Bonds: 4 |
| Polar Surface Area: 86.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.69 | CX Basic pKa: | CX LogP: 1.13 | CX LogD: 1.13 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.72 | Np Likeness Score: 1.19 |
References
| 1. Bisht SS, Fatima S, Tamrakar AK, Rahuja N, Jaiswal N, Srivastava AK, Tripathi RP.. (2009) Synthetic studies in butenonyl C-glycosides: Preparation of polyfunctional alkanonyl glycosides and their enzyme inhibitory activity., 19 (10): [PMID:19362832] [10.1016/j.bmcl.2009.03.136] |
Source
Source(1):