Compound Detail
CHEMBL2146827
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Basic Information
| ChEMBL ID | CHEMBL2146827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTFZQUBVYRIHEY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
481.3
MW (Da)
5.35
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of full length GST-tagged mouse B-Raf V600E mutant-mediated MEK1 phos... | 22985962 |
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Inhibition of mouse full length GST-tagged BRAF V600E mutant assessed as reducti... | 27238841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22985962 | 10.1016/j.bmc.2012.08.043 | Rattus norvegicus | 5 |
| 22985962 | 10.1016/j.bmc.2012.08.043 | Unchecked | 1 |
| 22985962 | 10.1016/j.bmc.2012.08.043 | NON-PROTEIN TARGET | 1 |
| 27238841 | 10.1016/j.bmc.2016.05.012 | Unchecked | 1 |
| 27238841 | 10.1016/j.bmc.2016.05.012 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine