Compound Detail
CHEMBL18162
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=P(O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1F
Basic Information
| ChEMBL ID | CHEMBL18162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQKWTOBKSULEKU-UZAAGFTCSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.1
MW (Da)
-2.51
ALogP
8
HBA
8
HBD
240.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Kd 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bos taurus CHEMBL613489 | Kd | 5.8 | 5.8 | 1600.0 | 1 |
| Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 CHEMBL2853 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bos taurus | Kd | = | 1600.0 | nM | 5.8 | Binding affinity on adrenal cortex microsomes | - |
| Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 | IC50 | = | 2000.0 | nM | 5.7 | 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 | 3 |
| 10579845 | 10.1021/jm991084t | Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 | 1 |
| - | 10.1016/0960-894X(96)00193-X | Bos taurus | 1 |
Data from ChEMBL 36 via Core Engine