Compound Detail
CHEMBL4215099
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CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(-c4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL4215099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCTXBPQNNNVZHG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
5.59
ALogP
5
HBA
3
HBD
72.5
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.65 | 7.65 | 22.2 | 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 | = | 22.2 | nM | 7.65 | Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated... | 30034590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034590 | 10.1021/acsmedchemlett.8b00035 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 30034590 | 10.1021/acsmedchemlett.8b00035 | Vascular endothelial growth factor receptor 2 | 1 |
| 30034590 | 10.1021/acsmedchemlett.8b00035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine