Compound Detail
CHEMBL5081142
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Cc1cc(Nc2cc(N3CCOCC3)nc(Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)nn4C)cc3)n2)[nH]n1
Basic Information
| ChEMBL ID | CHEMBL5081142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUMSQNWNSSISFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
4.04
ALogP
10
HBA
4
HBD
137.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 6.99 | 6.99 | 102.1 | 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 | = | 102.14 | nM | 6.99 | 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 |
Data from ChEMBL 36 via Core Engine