Compound Detail
CHEMBL282984
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Basic Information
| ChEMBL ID | CHEMBL282984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCYAJVOKJAFSES-HNNXBMFYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.58
ALogP
6
HBA
1
HBD
83.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.23
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| NCI-H460 CHEMBL396 | EC50 | 7.23 | 7.23 | 59.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 7.21 | 7.21 | 61.0 | 1 |
| SF-268 CHEMBL613977 | EC50 | 7.01 | 7.01 | 97.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 20.0 | nM | 7.7 | Cytotoxicity against mouse L1210 cells incubated for 24 hrs | 32432867 |
| NCI-H460 | EC50 | = | 59.0 | nM | 7.23 | Cytotoxicity against human H460 after 3 days by SRB assay | 15730238 |
| MCF7 | EC50 | = | 61.0 | nM | 7.21 | Cytotoxicity against human MCF7 after 3 days by SRB assay | 15730238 |
| SF-268 | EC50 | = | 97.0 | nM | 7.01 | Cytotoxicity against human SF-268 after 3 days by SRB assay | 15730238 |
| Tubulin beta chain | IC50 | = | 2100.0 | nM | 5.68 | Inhibitory effect on the polymerization of purified bovine brain tubulin. | 2299625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32372642 | 10.1021/acs.jnatprod.9b00880 | Unchecked | 5 |
| 3560165 | 10.1021/jm00387a028 | Mus musculus | 2 |
| 37421889 | 10.1016/j.ejmech.2023.115609 | Leishmania major | 2 |
| 15730238 | 10.1021/np0496587 | Unchecked | 2 |
| 6620299 | 10.1021/jm00364a006 | Mus musculus | 2 |
| 2299625 | 10.1021/jm00164a015 | Tubulin beta chain | 1 |
| 2299625 | 10.1021/jm00164a015 | Mus musculus | 1 |
| 15730238 | 10.1021/np0496587 | MCF7 | 1 |
| 15730238 | 10.1021/np0496587 | NCI-H460 | 1 |
| 15730238 | 10.1021/np0496587 | SF-268 | 1 |
| 15730238 | 10.1021/np0496587 | Artemia | 1 |
| 15730238 | 10.1021/np0496587 | Micrococcus luteus | 1 |
| 15730238 | 10.1021/np0496587 | Mycolicibacterium smegmatis | 1 |
| 15730238 | 10.1021/np0496587 | Saccharomyces cerevisiae | 1 |
| 15730238 | 10.1021/np0496587 | Aspergillus niger | 1 |
| 6620299 | 10.1021/jm00364a006 | Tubulin | 1 |
| 6620299 | 10.1021/jm00364a006 | P388 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | L1210 | 1 |
| 32432867 | 10.1021/acs.jmedchem.0c00222 | Unchecked | 1 |
| 3560165 | 10.1021/jm00387a028 | Tubulin beta chain | 1 |
Data from ChEMBL 36 via Core Engine