Compound Detail
CHEMBL480320
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 | CHEMBL480320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIPIJELFLQORGI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.43
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 840.0 | nM | 6.08 | 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