Compound Detail
CHEMBL260493
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Basic Information
| ChEMBL ID | CHEMBL260493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRIGNTQVYJCSMQ-UHFFFAOYSA-N |
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
445.1
MW (Da)
5.09
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 6.13 | 6.13 | 740.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.64 | 5.64 | 2290.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.365 | 2870.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 5.18 | 5.18 | 6560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 410.0 | nM | 6.39 | Cytotoxicity against human Jurkat cells | 18182300 |
| U-937 | IC50 | = | 740.0 | nM | 6.13 | Cytotoxicity against human U937 cells | 18182300 |
| U-937 | IC50 | = | 741.31 | nM | 6.13 | Anticancer activity against human U937 cells by MTS assay | 20056518 |
| HCT-116 | IC50 | = | 1510.0 | nM | 5.82 | Cytotoxicity against human HCT116 cells | 18182300 |
| PC-3 | IC50 | = | 2290.0 | nM | 5.64 | Cytotoxicity against human PC3 cells | 18182300 |
| MDA-MB-231 | IC50 | = | 2560.0 | nM | 5.59 | Cytotoxicity against human MDA-MB-231 cells | 18182300 |
| Unchecked | IC50 | = | 2870.0 | nM | 5.54 | Inhibition of bovine neuronal tubulin polymerization for 20 mins | 18182300 |
| MCF7 | IC50 | = | 3500.0 | nM | 5.46 | Cytotoxicity against human MCF7 cells | 18182300 |
| Unchecked | IC50 | = | 6470.0 | nM | 5.19 | Inhibition of bovine neuronal tubulin polymerization for 60 mins | 18182300 |
| A-375 | IC50 | = | 6560.0 | nM | 5.18 | Cytotoxicity against human A375 cells | 18182300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18182300 | 10.1016/j.bmc.2007.12.026 | Unchecked | 2 |
| 18182300 | 10.1016/j.bmc.2007.12.026 | U-937 | 1 |
| 18182300 | 10.1016/j.bmc.2007.12.026 | Jurkat | 1 |
| 18182300 | 10.1016/j.bmc.2007.12.026 | MDA-MB-231 | 1 |
| 18182300 | 10.1016/j.bmc.2007.12.026 | HCT-116 | 1 |
| 18182300 | 10.1016/j.bmc.2007.12.026 | PC-3 | 1 |
| 18182300 | 10.1016/j.bmc.2007.12.026 | MCF7 | 1 |
| 18182300 | 10.1016/j.bmc.2007.12.026 | A-375 | 1 |
| 20056518 | 10.1016/j.ejmech.2009.12.010 | U-937 | 1 |
Data from ChEMBL 36 via Core Engine