Compound Detail
CHEMBL278700
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Basic Information
| ChEMBL ID | CHEMBL278700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBNXFLOHCIXXBR-HSUXUTPPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.1
MW (Da)
-0.40
ALogP
6
HBA
6
HBD
200.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Kd 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 CHEMBL2853 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Bos taurus CHEMBL613489 | Kd | 5.4 | 5.4 | 4000.0 | 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 | = | 3900.0 | nM | 5.41 | Binding affinity against Inositol 1,4,5-trisphosphate receptor on bovine adrenal... | 10579845 |
| Bos taurus | Kd | = | 4000.0 | nM | 5.4 | Binding affinity on adrenal cortex microsomes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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