Compound Detail
CHEMBL514896
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Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3-c2ccc3ccccc3c2)c(C)c1C
Basic Information
| ChEMBL ID | CHEMBL514896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHZDAAXCDKJLQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
6.52
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 55.0 | nM | 7.26 | Agonist activity at human pregnane X receptor expressed in HGPXR reporter cells | 18304819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18304819 | 10.1016/j.bmc.2008.02.020 | Nuclear receptor subfamily 1 group I member 2 | 1 |
Data from ChEMBL 36 via Core Engine