Compound Detail
CHEMBL4784000
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Basic Information
| ChEMBL ID | CHEMBL4784000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWKBEUKRCQPJPK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.96
ALogP
9
HBA
4
HBD
135.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.66 | 7.56 | 22.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 22.0 | nM | 7.66 | Inhibition of recombinant human RET using KKKSPGEYVNIEFG as substrate incubated ... | 29133048 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 29.0 | nM | 7.54 | Inhibition of recombinant human RET V804L mutant using KKKVSRSGLYRSP as substrat... | 29133048 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 33.0 | nM | 7.48 | Inhibition of recombinant human RET V804M mutant using KKKVSRSGLYRSP as substrat... | 29133048 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29133048 | 10.1016/j.ejmech.2017.09.018 | BaF3 | 5 |
| 29133048 | 10.1016/j.ejmech.2017.09.018 | Unchecked | 3 |
| 29133048 | 10.1016/j.ejmech.2017.09.018 | Proto-oncogene tyrosine-protein kinase receptor Ret | 3 |
Data from ChEMBL 36 via Core Engine