Compound Detail
CHEMBL5592018
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Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc([C@]23COC[C@H]2C3)c1
Basic Information
| ChEMBL ID | CHEMBL5592018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCDIRDLSBIPQBX-IQGLISFBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
4.38
ALogP
6
HBA
2
HBD
93.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Calu-6 CHEMBL614535 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calu-6 | IC50 | = | 0.6 | nM | 9.22 | Antiproliferative activity against human Calu-6 cells assessed as reduction in c... | 38954961 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of C-RAF (unknown origin) | 38954961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38954961 | 10.1016/j.ejmech.2024.116631 | Calu-6 | 1 |
| 38954961 | 10.1016/j.ejmech.2024.116631 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine