Compound Detail
CHEMBL1807713
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)Cc1cncc(-c2ccc3[nH]c(-c4n[nH]c5ncc(N6CCN(C)CC6)cc45)nc3c2)c1
Basic Information
| ChEMBL ID | CHEMBL1807713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPQRTCXNCDUECH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
3.38
ALogP
7
HBA
2
HBD
92.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 6.98 | 6.98 | 104.0 | 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 | = | 104.0 | nM | 6.98 | 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