Compound Detail
CHEMBL1807707
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CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nc5ccccn45)n3)cc2C1.Cl
Basic Information
| ChEMBL ID | CHEMBL1807707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYPPUOHHIJPYMG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1852292 |
| Active Moiety | CHEMBL1852292 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
587.6
MW (Da)
6.72
ALogP
7
HBA
2
HBD
87.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.27
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| SK-MEL-28 CHEMBL614919 | EC50 | 5.27 | 5.27 | 5316.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 9.0 | nM | 8.05 | Inhibition of B-Raf V600E mutant | 21733693 |
| SK-MEL-28 | EC50 | = | 5316.0 | nM | 5.27 | Antiproliferative activity against human SK-MEL-28 cells expressing B-Raf V600E ... | 21733693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21733693 | 10.1016/j.bmcl.2011.06.021 | Serine/threonine-protein kinase B-raf | 2 |
| 21733693 | 10.1016/j.bmcl.2011.06.021 | SK-MEL-28 | 1 |
Data from ChEMBL 36 via Core Engine