Compound Detail
CHEMBL4205664
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Basic Information
| ChEMBL ID | CHEMBL4205664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BECNZUWIKCKMJG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.21
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
| Steroid hormone receptor ERR2 CHEMBL3751 | EC50 | 6.2 | 6.2 | 630.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.05167 | hr | Homo sapiens |
| T1/2 | 0.03667 | hr | Mus musculus |
| T1/2 | 0.065 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | EC50 | = | 390.0 | nM | 6.41 | Agonist activity at human N-terminal alphaHis-SUMO-tagged ERRgamma-LBD (229 to 4... | 29548571 |
| Steroid hormone receptor ERR2 | EC50 | = | 630.0 | nM | 6.2 | Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed a... | 29548571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29548571 | 10.1016/j.bmcl.2018.03.019 | ADMET | 3 |
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Estrogen-related receptor gamma | 1 |
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Steroid hormone receptor ERR1 | 1 |
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Steroid hormone receptor ERR2 | 1 |
Data from ChEMBL 36 via Core Engine