Compound Detail
CHEMBL2387025
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Basic Information
| ChEMBL ID | CHEMBL2387025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITELNHZJIBOQEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.37
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Danio rerio CHEMBL613963 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Danio rerio | EC50 | = | 420.0 | nM | 6.38 | Lipid lowering activity in zebrafish embryos by Nile red fat metabolism assay | 29626799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29626799 | 10.1016/j.ejmech.2018.03.036 | Danio rerio | 3 |
| 23623253 | 10.1016/j.bmc.2013.03.079 | No relevant target | 2 |
| 29626799 | 10.1016/j.ejmech.2018.03.036 | 3T3-L1 | 2 |
| 23623253 | 10.1016/j.bmc.2013.03.079 | MCF7 | 1 |
| 23623253 | 10.1016/j.bmc.2013.03.079 | NCI-H460 | 1 |
| 23623253 | 10.1016/j.bmc.2013.03.079 | NON-PROTEIN TARGET | 1 |
| 23623253 | 10.1016/j.bmc.2013.03.079 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine