Compound Detail
CHEMBL3794202
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Basic Information
| ChEMBL ID | CHEMBL3794202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRCYRAPQCDBYEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
1.95
ALogP
6
HBA
2
HBD
92.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.37 | 5.37 | 4260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 4260.0 | nM | 5.37 | Inhibition of bovine tubulin polymerization after 1 hr by fluorescence spectrome... | 27031215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27031215 | 10.1016/j.ejmech.2016.03.056 | HT-29 | 1 |
| 27031215 | 10.1016/j.ejmech.2016.03.056 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine