Compound Detail
CHEMBL5184072
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
CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(/N=N/c4cnc5ccccc5c4)c3F)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5184072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URVIRFMFFZIHOH-HEFFKOSUSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
568.5
MW (Da)
6.95
ALogP
6
HBA
1
HBD
73.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 779.0 | hr | - |
| T1/2 | 38.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human RET kinase using IGF1Rtide as substrate incubated for 40 min... | 35305461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35305461 | 10.1016/j.ejmech.2022.114226 | No relevant target | 2 |
| 35305461 | 10.1016/j.ejmech.2022.114226 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 35305461 | 10.1016/j.ejmech.2022.114226 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine