Compound Detail
CHEMBL1215488
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
COCc1cc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2CCCC2)ccc1C#N
Basic Information
| ChEMBL ID | CHEMBL1215488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSUYITZYHVOSGB-ZCYQVOJMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
4.75
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 150.0 | nM | 6.82 | Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human... | 20672822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20672822 | 10.1021/jm100505n | Mineralocorticoid receptor | 1 |
Data from ChEMBL 36 via Core Engine