Compound Detail
CHEMBL4483669
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Basic Information
| ChEMBL ID | CHEMBL4483669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYOWETOOFUOXEH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.89
ALogP
4
HBA
3
HBD
108.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.8967 | 12100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12100.0 | nM | 4.92 | Inhibition of BRAF/MEK1 (unknown origin) cascading pathway assessed as reduction... | 31252285 |
| Unchecked | IC50 | = | 12800.0 | nM | 4.89 | Inhibition of recombinant N-terminal GST-tagged human BRAF (433-726 residues) ex... | 31252285 |
| Unchecked | IC50 | = | 13200.0 | nM | 4.88 | Inhibition of BRAF/MEK1 (unknown origin) cascading pathway assessed as reduction... | 31252285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31252285 | 10.1016/j.ejmech.2019.06.027 | Unchecked | 5 |
| 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