Compound Detail
CHEMBL5575696
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Cc1ccc(NC(=O)N2CC[C@H](CC(F)(F)F)C2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL5575696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPPBENPFFVVINE-GOSISDBHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
4.07
ALogP
6
HBA
2
HBD
87.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.05 | 7.44 | 9.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 9.0 | nM | 8.05 | Inhibition of ERK phosphorylation in human WM3629 cells harboring class-III BRAF... | 38230963 |
| Unchecked | EC50 | = | 13.0 | nM | 7.89 | Inhibition of ERK phosphorylation in human NCI-H2405 cells harboring class-II BR... | 38230963 |
| Unchecked | EC50 | = | 415.0 | nM | 6.38 | Inhibition of ERK phosphorylation in human A-375 cells harboring class-I BRAF mu... | 38230963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38230963 | 10.1021/acs.jmedchem.3c01830 | Unchecked | 3 |
| 38230963 | 10.1021/acs.jmedchem.3c01830 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine