Compound Detail
CHEMBL187716
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Nc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N4CC(c5ccc(F)cc5)NC4=O)ccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL187716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AISRCZMZSLSDTC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
3.07
ALogP
5
HBA
2
HBD
112.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta tubulin CHEMBL3186 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta tubulin | IC50 | = | 25000.0 | nM | 4.6 | Compound was tested for inhibition of tubulin polymerisation | 15546733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546733 | 10.1016/j.bmcl.2004.09.069 | Beta tubulin | 1 |
| 15546733 | 10.1016/j.bmcl.2004.09.069 | HCT-116 | 1 |
| 15546733 | 10.1016/j.bmcl.2004.09.069 | A549 | 1 |
| 15546733 | 10.1016/j.bmcl.2004.09.069 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine