Compound Detail
CHEMBL4483666
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CO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]2O)[C@H]1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL4483666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFGMCVXTUYJQKW-GPXGRWIWSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
566.2
MW (Da)
-3.75
ALogP
13
HBA
9
HBD
297.9
PSA (Ų)
0.11
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.28
Kd 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1 CHEMBL2804 | Kd | 8.49 | 8.49 | 3.2 | 2 |
| Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1 CHEMBL2804 | EC50 | 7.28 | 7.1675 | 52.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32052631 | 10.1021/acs.jmedchem.9b01986 | Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1 | 9 |
Data from ChEMBL 36 via Core Engine