Compound Detail
CHEMBL4204689
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4204689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKABDOARRBOORN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.66
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid hormone receptor ERR2 CHEMBL3751 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
| Estrogen-related receptor gamma CHEMBL4245 | EC50 | 6.16 | 5.745 | 700.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1133 | hr | Homo sapiens |
| T1/2 | 0.055 | hr | Mus musculus |
| T1/2 | 0.02667 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid hormone receptor ERR2 | EC50 | = | 90.0 | nM | 7.05 | Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed a... | 29548571 |
| Estrogen-related receptor gamma | EC50 | = | 700.0 | nM | 6.16 | Agonist activity at human N-terminal alphaHis-SUMO-tagged ERRgamma-LBD (229 to 4... | 29548571 |
| Estrogen-related receptor gamma | EC50 | = | 4701.0 | nM | 5.33 | Agonist activity at Gal4 fused ERRgamma-LBD (unknown origin) expressed in HEK293... | 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 | 2 |
| 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 |
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Tegument protein VP16 | 1 |
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine