Compound Detail
CHEMBL169400
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 | CHEMBL169400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPRXFXLMUYYFSK-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
4.40
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WiDr CHEMBL614647 | IC50 | 4.59 | 4.59 | 25590.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 4.55 | 4.55 | 28430.0 | 1 |
| Colon 26 CHEMBL614466 | IC50 | 4.51 | 4.51 | 30970.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 4.34 | 4.34 | 45450.0 | 1 |
| UMSCC22B CHEMBL612798 | IC50 | 4.33 | 4.33 | 46470.0 | 1 |
| H322 CHEMBL614573 | IC50 | 4.22 | 4.22 | 59720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WiDr | IC50 | = | 25590.0 | nM | 4.59 | In vitro cytotoxicity causing 50% growth inhibition was determined against WiDr ... | 11277538 |
| Lewis lung carcinoma cell line | IC50 | = | 28430.0 | nM | 4.55 | In vitro cytotoxicity causing 50% growth inhibition was determined against LL (m... | 11277538 |
| Colon 26 | IC50 | = | 30970.0 | nM | 4.51 | In vitro cytotoxicity causing 50% growth inhibition was determined against C26-1... | 11277538 |
| A2780 | IC50 | = | 45450.0 | nM | 4.34 | In vitro cytotoxicity causing 50% growth inhibition was determined against A270 ... | 11277538 |
| UMSCC22B | IC50 | = | 46470.0 | nM | 4.33 | In vitro cytotoxicity causing 50% growth inhibition was determined against 22B (... | 11277538 |
| H322 | IC50 | = | 59720.0 | nM | 4.22 | In vitro cytotoxicity causing 50% growth inhibition was determined against H322 ... | 11277538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277538 | 10.1016/s0960-894x(01)00084-1 | A2780 | 1 |
| 11277538 | 10.1016/s0960-894x(01)00084-1 | H322 | 1 |
| 11277538 | 10.1016/s0960-894x(01)00084-1 | Lewis lung carcinoma cell line | 1 |
| 11277538 | 10.1016/s0960-894x(01)00084-1 | WiDr | 1 |
| 11277538 | 10.1016/s0960-894x(01)00084-1 | Colon 26 | 1 |
| 11277538 | 10.1016/s0960-894x(01)00084-1 | UMSCC22B | 1 |
Data from ChEMBL 36 via Core Engine