Compound Detail
CHEMBL2092836
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O=P(O)(O)O[C@H]1CO[C@@H]2[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]2OC1
Basic Information
| ChEMBL ID | CHEMBL2092836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWSXBTFYSZFHCT-QPFROKRISA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.2
MW (Da)
-3.06
ALogP
10
HBA
8
HBD
259.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.91
Kd 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.21 | 7.21 | 62.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.91 | 5.91 | 1230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 62.0 | nM | 7.21 | Binding affinity towards rat liver membrane, measured using equilibrium competit... | 11405648 |
| Rattus norvegicus | EC50 | = | 1230.0 | nM | 5.91 | Concentration causing maximal effect on [Ca2+] release from the intracellular st... | 11405648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405648 | 10.1021/jm0005499 | Unchecked | 5 |
| 11405648 | 10.1021/jm0005499 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine