Compound Detail
CHEMBL5078263
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
CCN1CCN(c2cc(Nc3cc(C)n[nH]3)nc(Nc3ccc(CC(=O)Nc4ccc(C(C)C)cc4)cc3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL5078263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLZMBAXXJQITCR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
5.44
ALogP
8
HBA
4
HBD
114.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.18 | 7.18 | 66.6 | 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 | = | 66.58 | nM | 7.18 | Inhibition of GST-3C fused human RET (705 to 1013 residues) expressed in sf9 bac... | 35081714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35081714 | 10.1021/acs.jmedchem.1c01280 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 35081714 | 10.1021/acs.jmedchem.1c01280 | LC-2-ad | 1 |
Data from ChEMBL 36 via Core Engine