Compound Detail
CHEMBL480139
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL480139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGZDKIOMFRFTMR-HYARGMPZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
3.45
ALogP
8
HBA
1
HBD
88.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caco-2 CHEMBL614058 | IC50 | 4.3 | 4.3 | 49600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caco-2 | IC50 | = | 49600.0 | nM | 4.3 | 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