Compound Detail
CHEMBL4465165
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Basic Information
| ChEMBL ID | CHEMBL4465165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXSQOPAJVZBGIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.61
ALogP
4
HBA
3
HBD
99.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12800.0 | nM | 4.89 | Inhibition of recombinant N-terminal GST-tagged human BRAF (433-726 residues) ex... | 31252285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31252285 | 10.1016/j.ejmech.2019.06.027 | Unchecked | 3 |
| 31252285 | 10.1016/j.ejmech.2019.06.027 | HEK293 | 1 |
| 31252285 | 10.1016/j.ejmech.2019.06.027 | A549 | 1 |
| 31252285 | 10.1016/j.ejmech.2019.06.027 | A-375 | 1 |
| 31252285 | 10.1016/j.ejmech.2019.06.027 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine