Compound Detail
CHEMBL386210
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 | CHEMBL386210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYCLDSKJRXLNOO-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.84
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MKN-45 CHEMBL614354 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| KB CHEMBL398 | IC50 | 7.07 | 7.05 | 85.0 | 2 |
| NCI-H460 CHEMBL396 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| TSGH 9201 CHEMBL614787 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Tubulin CHEMBL2095182 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MKN-45 | IC50 | = | 45.0 | nM | 7.35 | Cytotoxicity against human MKN45 cell line by methylene blue dye assay | 17154496 |
| HT-29 | IC50 | = | 55.0 | nM | 7.26 | Cytotoxicity against human HT29 cell line by methylene blue dye assay | 17154496 |
| KB | IC50 | = | 85.0 | nM | 7.07 | Cytotoxicity against KB-VIN 10 cell line by methylene blue dye assay | 17154496 |
| KB | IC50 | = | 93.0 | nM | 7.03 | Cytotoxicity against human KB cell line by methylene blue dye assay | 17154496 |
| NCI-H460 | IC50 | = | 95.0 | nM | 7.02 | Cytotoxicity against human H460 cell line by methylene blue dye assay | 17154496 |
| TSGH 9201 | IC50 | = | 100.0 | nM | 7.0 | Cytotoxicity against human TSGH cell line by methylene blue dye assay | 17154496 |
| Tubulin | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of tubulin polymerization | 17154496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154496 | 10.1021/jm061076u | Tubulin | 3 |
| 17154496 | 10.1021/jm061076u | KB | 2 |
| 17154496 | 10.1021/jm061076u | MKN-45 | 1 |
| 17154496 | 10.1021/jm061076u | NCI-H460 | 1 |
| 17154496 | 10.1021/jm061076u | HT-29 | 1 |
| 17154496 | 10.1021/jm061076u | TSGH 9201 | 1 |
Data from ChEMBL 36 via Core Engine