Compound Detail
CHEMBL4098564
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
CCC(=O)O[C@@H]1[C@]2(CC)CCCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@]1(O)C(=O)OC)[C@@H]32
Basic Information
| ChEMBL ID | CHEMBL4098564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKFWBHUZBYPPCZ-IRDNYISJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
2.26
ALogP
8
HBA
1
HBD
88.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIN6 CHEMBL4483258 | EC50 | 4.42 | 4.42 | 38500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIN6 | EC50 | = | 38500.0 | nM | 4.42 | Induction of glucose-stimulated insulin secretion in mouse MIN6 cells after 2 hr... | 28162858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28162858 | 10.1016/j.bmcl.2016.09.064 | MIN6 | 1 |
Data from ChEMBL 36 via Core Engine