Compound Detail
CHEMBL4575066
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CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/C(=O)c2ccccc2)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL4575066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BANKOOHMAFMTES-TYPNBTCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
0.58
ALogP
4
HBA
3
HBD
111.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 1.4 | nM | 8.85 | Inhibition of tubulin polymerization (unknown origin) | 30953881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30953881 | 10.1016/j.ejmech.2019.03.025 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine