Compound Detail
CHEMBL3764667
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Basic Information
| ChEMBL ID | CHEMBL3764667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNUAFUGBAMTTIM-YSMBQZINSA-N |
| Parent Compound | CHEMBL217041 |
| Active Moiety | CHEMBL217041 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.47
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by sp... | 26852340 |
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 | NON-PROTEIN TARGET | 2 |
| 26852340 | 10.1016/j.bmc.2016.01.007 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine