Compound Detail
CHEMBL1254864
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Basic Information
| ChEMBL ID | CHEMBL1254864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZJUVBVCSBZHNP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.8
MW (Da)
4.52
ALogP
2
HBA
0
HBD
44.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Ecdysone receptor CHEMBL1250403 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4300.0 | nM | 5.37 | Binding affinity to Bovicola ovis recombinant ecdysone receptor ligand binding d... | 20619664 |
| Ecdysone receptor | IC50 | = | 8300.0 | nM | 5.08 | Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding... | 20619664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20619664 | 10.1016/j.bmc.2010.06.020 | Unchecked | 1 |
| 20619664 | 10.1016/j.bmc.2010.06.020 | Ecdysone receptor | 1 |
| 20619664 | 10.1016/j.bmc.2010.06.020 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine