Compound Detail
CHEMBL5618101
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Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccc(OCCNC(C)C)nn12
Basic Information
| ChEMBL ID | CHEMBL5618101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWEAPVSZAHZTHG-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
633.7
MW (Da)
4.83
ALogP
8
HBA
2
HBD
87.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET CHEMBL3430888 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.44 | 8.02 | 3.6 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.71 | 7.71 | 19.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | IC50 | = | 1.2 | nM | 8.92 | Inhibition of human KI5B-RET kinase in presence of [gamma33P]-ATP and 10 uM ATP ... | 39291010 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 3.6 | nM | 8.44 | Inhibition of human wild type RET kinase using RRRRRRRRRRRVYSTDYYRLFNPS as subst... | 39291010 |
| Unchecked | IC50 | = | 19.4 | nM | 7.71 | Inhibition of human KI5B-RET kinase-V804M mutant in presence of [gamma33P]-ATP a... | 39291010 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 25.3 | nM | 7.6 | Inhibition of human RET kinase-G810R mutant using RRRRRRRRRRRVYSTDYYRLFNPS as su... | 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 |
| 39291010 | 10.1021/acsmedchemlett.4c00287 | Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | 1 |
Data from ChEMBL 36 via Core Engine