Compound Detail
CHEMBL480508
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Basic Information
| ChEMBL ID | CHEMBL480508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JELOQNSSFIIARN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.46
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WRL68 CHEMBL612587 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WRL68 | IC50 | = | 23.0 | nM | 7.64 | Cytotoxicity against human WRL68 cells after 24 hrs by MTT assay | 18586491 |
| NON-PROTEIN TARGET | IC50 | = | 1540.0 | nM | 5.81 | Cytotoxicity against human KB403 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 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine