Compound Detail
CHEMBL477194
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 | CHEMBL477194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZVSSQDEEZMHDR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
6.09
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| KB CHEMBL398 | IC50 | 4.84 | 4.84 | 14400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity against drug-resistant human KB-VIN cells assessed as reduction of ... | 18782668 |
| KB | IC50 | = | 14400.0 | nM | 4.84 | Cytotoxicity against human KB cells assessed as reduction of cell growth by SRB ... | 18782668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18782668 | 10.1016/j.bmcl.2008.08.050 | DU-145 | 1 |
| 18782668 | 10.1016/j.bmcl.2008.08.050 | A549 | 1 |
| 18782668 | 10.1016/j.bmcl.2008.08.050 | KB | 1 |
| 18782668 | 10.1016/j.bmcl.2008.08.050 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine