Compound Detail
CHEMBL383842
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
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1C(=O)c1cccc(C#N)c1
Basic Information
| ChEMBL ID | CHEMBL383842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPNWHQDAWHERHU-CLJLJLNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
4.29
ALogP
4
HBA
2
HBD
76.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 5.07 | 5.07 | 8430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 8430.0 | nM | 5.07 | 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