Compound Detail
CHEMBL1215329
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N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CC[C@H]3[C@H]2c2ccc(F)cc2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL1215329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABRSQONXUKMPNK-ZJSXRUAMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
5.58
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mineralocorticoid receptor CHEMBL1994 | IC50 | 6.65 | 6.055 | 223.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mineralocorticoid receptor | IC50 | = | 223.0 | nM | 6.65 | Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human... | 20672822 |
| Mineralocorticoid receptor | IC50 | = | 3500.0 | nM | 5.46 | Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human... | 20672822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20672822 | 10.1021/jm100505n | Mineralocorticoid receptor | 2 |
Data from ChEMBL 36 via Core Engine