Compound Detail
CHEMBL480509
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Basic Information
| ChEMBL ID | CHEMBL480509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FITMXVOQPCVNMN-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.46
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.73 | 1880.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| WRL68 CHEMBL612587 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.26 | 4.26 | 55400.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.12 | 4.12 | 75900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1880.0 | nM | 5.73 | Inhibition of tubulin polymerization after 1 hr by spectrophotometric analysis | 22472045 |
| MCF7 | IC50 | = | 2200.0 | nM | 5.66 | Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay | 18586491 |
| HepG2 | IC50 | = | 9000.0 | nM | 5.05 | Cytotoxicity against human HEPG2 cells after 24 hrs by MTT assay | 18586491 |
| NON-PROTEIN TARGET | IC50 | = | 10300.0 | nM | 4.99 | Cytotoxicity against human KB403 cells after 24 hrs by MTT assay | 18586491 |
| WRL68 | IC50 | = | 12800.0 | nM | 4.89 | Cytotoxicity against human WRL68 cells after 24 hrs by MTT assay | 18586491 |
| A549 | IC50 | = | 55400.0 | nM | 4.26 | Cytotoxicity against human A549 cells after 48 hrs by SRB assay | 22472045 |
| HCT-116 | IC50 | = | 75900.0 | nM | 4.12 | Cytotoxicity against human HCT116 cells after 48 hrs by SRB assay | 22472045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18586491 | 10.1016/j.bmcl.2008.06.039 | NON-PROTEIN TARGET | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | WRL68 | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | Caco-2 | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | HepG2 | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | MCF7 | 1 |
| 18586491 | 10.1016/j.bmcl.2008.06.039 | ADMET | 1 |
| 22472045 | 10.1016/j.bmc.2012.02.057 | A549 | 1 |
| 22472045 | 10.1016/j.bmc.2012.02.057 | Unchecked | 1 |
| 22472045 | 10.1016/j.bmc.2012.02.057 | HCT-116 | 1 |
| 35442672 | 10.1021/acs.jmedchem.1c02198 | Peritoneal macrophage | 1 |
| 38107178 | 10.1039/d3md00337j | HeLa | 1 |
| 38107178 | 10.1039/d3md00337j | A2780 | 1 |
| 38107178 | 10.1039/d3md00337j | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine