Compound Detail
CHEMBL5619652
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Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccc(N3CCOCC3)nn12
Basic Information
| ChEMBL ID | CHEMBL5619652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWRYPZJFNFQTHP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
617.7
MW (Da)
4.29
ALogP
8
HBA
1
HBD
78.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 10.0 | 8.69 | 0.1 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.32 | 7.32 | 47.8 | 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 | = | 0.1 | nM | 10.0 | Inhibition of human RET kinase-V804M mutant using RRRRRRRRRRRVYSTDYYRLFNPS as su... | 39291010 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 41.3 | nM | 7.38 | Inhibition of human RET kinase-G810R mutant using RRRRRRRRRRRVYSTDYYRLFNPS as su... | 39291010 |
| Unchecked | IC50 | = | 47.8 | nM | 7.32 | Inhibition of human KI5B-RET kinase-V804M mutant in presence of [gamma33P]-ATP a... | 39291010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39291010 | 10.1021/acsmedchemlett.4c00287 | Proto-oncogene tyrosine-protein kinase receptor Ret | 3 |
| 39291010 | 10.1021/acsmedchemlett.4c00287 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine