Compound Detail
CHEMBL3800378
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Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F
Basic Information
| ChEMBL ID | CHEMBL3800378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOZZYNGIYPRQOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.58
ALogP
8
HBA
4
HBD
154.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 216.0 | nM | 6.67 | Inhibition of B-Raf V600E mutant (unknown origin) assessed as MEK1 phosphorylati... | 27085672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27085672 | 10.1016/j.bmc.2016.03.055 | Serine/threonine-protein kinase B-raf | 2 |
Data from ChEMBL 36 via Core Engine