Compound Detail
CHEMBL2335884
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Basic Information
| ChEMBL ID | CHEMBL2335884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMCSQTPDMRNXRC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.91
ALogP
6
HBA
1
HBD
63.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.0 | 6.8475 | 100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 101.0 | nM | 7.0 | Inhibition of human recombinant N-terminus His-tagged BRAF V600E mutant expresse... | 23398453 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 101.0 | nM | 7.0 | Inhibition of B-Raf V600E mutant (unknown origin) using fluorescein-MAP2K1 as su... | 30108894 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 100.0 | nM | 7.0 | Inhibition of B-Raf V600E mutant (unknown origin) using fluorescein-MAP2K1 as su... | 30108894 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 410.0 | nM | 6.39 | Inhibition of BRAF V600E mutant-mediated ERK phosphorylation in human A375 cells... | 23398453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108894 | 10.1039/C7MD00229G | Serine/threonine-protein kinase B-raf | 3 |
| 23398453 | 10.1021/jm301658d | Serine/threonine-protein kinase B-raf | 2 |
| 23398453 | 10.1021/jm301658d | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine