Compound Detail
CHEMBL425394
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CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(-c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL425394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAVCLXMWRUTARG-ROJLCIKYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.7
MW (Da)
6.44
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 5.61 | 5.61 | 2470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 2470.0 | nM | 5.61 | Inhibition of intracellular calcium release in human TT cells containing calcium... | 16216508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16216508 | 10.1016/j.bmcl.2005.08.095 | Extracellular calcium-sensing receptor | 1 |
Data from ChEMBL 36 via Core Engine