Compound Detail
CHEMBL3893840
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Cc1nc2ccc(S(=O)(=O)Nc3ccc(F)c(Nc4ncccc4-c4ncnc5[nH]cnc45)c3F)cc2s1
Basic Information
| ChEMBL ID | CHEMBL3893840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPSGNCLLQOXYGW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
5.16
ALogP
9
HBA
3
HBD
138.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.53
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | EC50 | 5.53 | 5.53 | 2930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 400.0 | nM | 6.4 | Enzyme Assay: To check the B-Raf kinase inhibitory activity of the compounds of ... | - |
| Serine/threonine-protein kinase B-raf | EC50 | = | 2930.0 | nM | 5.53 | Cell Activity Inhibition Assay: To check the B-Raf cell activity inhibitory capa... | - |
Data from ChEMBL 36 via Core Engine