Compound Detail
CHEMBL3775585
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Basic Information
| ChEMBL ID | CHEMBL3775585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRTJYMQFXOXJOS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.2
MW (Da)
4.40
ALogP
6
HBA
2
HBD
76.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET CHEMBL3430888 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 9.7 | nM | 8.01 | Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in b... | 26874741 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells pr... | 26874741 |
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed... | 26874741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26874741 | 10.1016/j.ejmech.2016.01.039 | Vascular endothelial growth factor receptor 2 | 2 |
| 26874741 | 10.1016/j.ejmech.2016.01.039 | Unchecked | 2 |
| 26874741 | 10.1016/j.ejmech.2016.01.039 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 26874741 | 10.1016/j.ejmech.2016.01.039 | Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | 1 |
Data from ChEMBL 36 via Core Engine