Compound Detail
CHEMBL1215411
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
N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2C=CC=CO2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL1215411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQHHUEYMKOMMQD-AVAATZNPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.9
MW (Da)
4.53
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.9 | 6.9 | 127.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 127.0 | nM | 6.9 | 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