Compound Detail
CHEMBL1807508
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O=C(N[C@H]1CC[C@H](O)CC1)c1ccc2nc(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL1807508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSYVHKACCYTHOX-MXVIHJGJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
4.75
ALogP
6
HBA
4
HBD
132.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 6.0 | 6.0 | 1000.0 | 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 | = | 1000.0 | nM | 6.0 | Inhibition of RET kinase | 21724393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21724393 | 10.1016/j.bmcl.2011.06.003 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine