Compound Detail
CHEMBL4585518
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Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(CNS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)c1C
Basic Information
| ChEMBL ID | CHEMBL4585518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POCCLYOYBWBDJD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
5.11
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.42
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MRC5 CHEMBL614181 | IC50 | 4.79 | 4.79 | 16270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MRC5 | IC50 | = | 16270.0 | nM | 4.79 | Cytotoxicity against human MRC5 cells assessed as reduction in cell growth measu... | 31416738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31416738 | 10.1016/j.bmc.2019.08.001 | Aromatase | 1 |
| 31416738 | 10.1016/j.bmc.2019.08.001 | T47D | 1 |
| 31416738 | 10.1016/j.bmc.2019.08.001 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine