Compound Detail
CHEMBL437521
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Basic Information
| ChEMBL ID | CHEMBL437521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHIZJMMWOQMOBD-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
5.64
ALogP
3
HBA
0
HBD
18.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| RKO CHEMBL614879 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| SF-268 CHEMBL613977 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| Tubulin CHEMBL2111354 | IC50 | 5.82 | 5.82 | 1520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 250.0 | nM | 6.6 | Antiproliferative activity against human K562 cell line | 17181164 |
| SK-OV-3 | IC50 | = | 270.0 | nM | 6.57 | Antiproliferative activity against SKOV3 cells by XTT assay after 48 hrs | 17181164 |
| RKO | IC50 | = | 280.0 | nM | 6.55 | Antiproliferative activity against RKO cells by XTT assay after 48 hrs | 17181164 |
| SF-268 | IC50 | = | 430.0 | nM | 6.37 | Antiproliferative activity against SF268 cells by XTT assay after 48 hrs | 17181164 |
| NON-PROTEIN TARGET | IC50 | = | 470.0 | nM | 6.33 | Antiproliferative activity against KB/HeLa cells by XTT assay after 48 hrs | 17181164 |
| NCI-H460 | IC50 | = | 980.0 | nM | 6.01 | Antiproliferative activity against NCI-H460 cells by XTT assay after 48 hrs | 17181164 |
| Tubulin | IC50 | = | 1520.0 | nM | 5.82 | Inhibition of tubulin polymerization in porcine brain | 17181164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181164 | 10.1021/jm0605031 | RKO | 2 |
| 17181164 | 10.1021/jm0605031 | K562 | 1 |
| 17181164 | 10.1021/jm0605031 | Tubulin | 1 |
| 17181164 | 10.1021/jm0605031 | NON-PROTEIN TARGET | 1 |
| 17181164 | 10.1021/jm0605031 | SK-OV-3 | 1 |
| 17181164 | 10.1021/jm0605031 | SF-268 | 1 |
| 17181164 | 10.1021/jm0605031 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine