Compound Detail
CHEMBL407094
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Basic Information
| ChEMBL ID | CHEMBL407094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEKLTEXFLCQQIM-GFCCVEGCSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
3.06
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.85 | 6.4533 | 1.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.42 | nM | 8.85 | Displacement of [131I]IMTO from CYP450c 11 in Wistar rat adrenal membrane | 18348518 |
| Unchecked | IC50 | = | 1470.0 | nM | 5.83 | Displacement of [3H]ethynylpropylbicycloorthobenzoate from GABAA receptor from r... | 19497738 |
| Unchecked | IC50 | = | 20700.0 | nM | 4.68 | Displacement of [3H]ethynylpropylbicycloorthobenzoate from GABA receptor from ra... | 19497738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19497738 | 10.1016/j.bmcl.2009.05.065 | Unchecked | 3 |
| 18348518 | 10.1021/jm800012w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine