Compound Detail
CHEMBL295302
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CC(C)(C)c1ccc(C/N=C(\S)NCc2ccc(NS(C)(=O)=O)cc2)c(OCc2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL295302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBFLHDBFFGTNTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.7
MW (Da)
5.51
ALogP
4
HBA
3
HBD
79.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vanilloid receptor CHEMBL2096684 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vanilloid receptor | IC50 | = | 770.0 | nM | 6.11 | In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat... | 15026052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026052 | 10.1016/j.bmcl.2004.01.041 | Vanilloid receptor | 2 |
Data from ChEMBL 36 via Core Engine