Compound Detail
CHEMBL518306
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Basic Information
| ChEMBL ID | CHEMBL518306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIVJEPKRLFVSAS-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
3.31
ALogP
7
HBA
1
HBD
75.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caco-2 CHEMBL614058 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caco-2 | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against human CaCO2 cells after 24 hrs by MTT assay | 18586491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18586491 | 10.1016/j.bmcl.2008.06.039 | NON-PROTEIN TARGET | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | WRL68 | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | Caco-2 | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | HepG2 | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine