Compound Detail
CHEMBL256278
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Basic Information
| ChEMBL ID | CHEMBL256278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTJFAGXSJGHOGY-WAYWQWQTSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
3.06
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.37 | 6.995 | 4.3 | 2 |
| Tubulin CHEMBL2094134 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 4.3 | nM | 8.37 | Cytotoxicity against mouse MHEC5-T cells after 5 days by MTT assay | 18303849 |
| Tubulin | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by sp... | 26852340 |
| NON-PROTEIN TARGET | IC50 | = | 2400.0 | nM | 5.62 | Cytotoxicity against mouse MHEC5-T cells after 1 hr by MTT assay | 18303849 |
| Unchecked | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of calf tubulin polymerization | 18303849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26852340 | 10.1016/j.bmc.2016.01.007 | Tubulin | 3 |
| 26852340 | 10.1016/j.bmc.2016.01.007 | Leucine aminopeptidase | 3 |
| 18303849 | 10.1021/np070377j | NON-PROTEIN TARGET | 2 |
| 26852340 | 10.1016/j.bmc.2016.01.007 | NON-PROTEIN TARGET | 2 |
| 18303849 | 10.1021/np070377j | Unchecked | 1 |
| 18303849 | 10.1021/np070377j | BXPC-3 | 1 |
| 18303849 | 10.1021/np070377j | MCF7 | 1 |
| 18303849 | 10.1021/np070377j | SF-268 | 1 |
| 18303849 | 10.1021/np070377j | NCI-H460 | 1 |
| 18303849 | 10.1021/np070377j | KM-20L2 | 1 |
| 18303849 | 10.1021/np070377j | DU-145 | 1 |
| 18303849 | 10.1021/np070377j | Mus musculus | 1 |
| 26852340 | 10.1016/j.bmc.2016.01.007 | NCI-H460 | 1 |
| 26852340 | 10.1016/j.bmc.2016.01.007 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine