Compound Detail
CHEMBL3137947
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Basic Information
| ChEMBL ID | CHEMBL3137947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAJWOBJTTGJROA-PWEQQMHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
4.17
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 3 CHEMBL3069 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 3 | IC50 | = | 5011.87 | nM | 5.3 | Inhibitory concentration against mouse constitutive androstane receptor (mCAR) a... | 14561088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14561088 | 10.1021/jm030861t | Nuclear receptor subfamily 1 group I member 3 | 2 |
Data from ChEMBL 36 via Core Engine