Compound Detail
CHEMBL1215553
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N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1215553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZANSTWSRRTTES-FIBWVYCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
6.18
ALogP
5
HBA
1
HBD
85.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.31 | 6.31 | 488.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 488.0 | nM | 6.31 | 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