Compound Detail
CHEMBL3288081
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C=C(CO)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OS(=O)(=O)[O-])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2OS(=O)(=O)[O-].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3288081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUHXETQLAYFIQG-CTNMRGLWSA-L |
| Parent Compound | CHEMBL3306915 |
| Active Moiety | CHEMBL3306915 |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
618.9
MW (Da)
5.62
ALogP
7
HBA
3
HBD
147.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24835788 | 10.1016/j.bmc.2014.04.050 | Acetylcholinesterase | 2 |
| 24835788 | 10.1016/j.bmc.2014.04.050 | Cholinesterase | 2 |
| 24835788 | 10.1016/j.bmc.2014.04.050 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine