Compound Detail
CHEMBL4217033
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Basic Information
| ChEMBL ID | CHEMBL4217033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVIHTYJJYKPKNU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
4.32
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid hormone receptor ERR2 CHEMBL3751 | EC50 | 7.51 | 7.51 | 31.0 | 1 |
| Estrogen-related receptor gamma CHEMBL4245 | EC50 | 6.02 | 6.02 | 950.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.04833 | hr | Homo sapiens |
| T1/2 | 0.02 | hr | Mus musculus |
| T1/2 | 0.01833 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid hormone receptor ERR2 | EC50 | = | 31.0 | nM | 7.51 | Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed a... | 29548571 |
| Estrogen-related receptor gamma | EC50 | = | 950.0 | nM | 6.02 | Agonist activity at human N-terminal alphaHis-SUMO-tagged ERRgamma-LBD (229 to 4... | 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 ERR2 | 1 |
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine