Compound Detail
CHEMBL145009
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N[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H]1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL145009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKGGDGUSXBIFHM-UZAAGFTCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.1
MW (Da)
-3.52
ALogP
9
HBA
9
HBD
266.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 CHEMBL2853 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 | IC50 | = | 5000.0 | nM | 5.3 | Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal... | 10579845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579845 | 10.1021/jm991084t | ADMET | 4 |
| 10579845 | 10.1021/jm991084t | Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 | 1 |
Data from ChEMBL 36 via Core Engine