Compound Detail
CHEMBL1172147
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Basic Information
| ChEMBL ID | CHEMBL1172147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGWMATWUOJUJRZ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
410.9
MW (Da)
4.76
ALogP
7
HBA
1
HBD
103.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
| TPC1 CHEMBL613836 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.04 | 4.04 | 92000.0 | 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 | = | 690.0 | nM | 6.16 | Inhibition of human recombinant histidine-tagged RET (700-1020) expressed in Sf9... | 20409618 |
| ALK tyrosine kinase receptor | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of human recombinant histidine-tagged ALK (103-1459) expressed in Sf9... | 20409618 |
| TPC1 | IC50 | = | 28000.0 | nM | 4.55 | Antiproliferative activity against human TPC1 cells expressing RET/PCT1 after 72... | 20409618 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of human recombinant histidine-tagged ABL (230-517) expressed in Sf9 ... | 20409618 |
| NON-PROTEIN TARGET | IC50 | = | 92000.0 | nM | 4.04 | Antiproliferative activity against human RET deficient LS 174T cells after 72 hr... | 20409618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20409618 | 10.1016/j.ejmech.2010.03.017 | Unchecked | 2 |
| 20409618 | 10.1016/j.ejmech.2010.03.017 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 20409618 | 10.1016/j.ejmech.2010.03.017 | Tyrosine-protein kinase ABL1 | 1 |
| 20409618 | 10.1016/j.ejmech.2010.03.017 | ALK tyrosine kinase receptor | 1 |
| 20409618 | 10.1016/j.ejmech.2010.03.017 | TPC1 | 1 |
| 20409618 | 10.1016/j.ejmech.2010.03.017 | NON-PROTEIN TARGET | 1 |
| 20409618 | 10.1016/j.ejmech.2010.03.017 | ARO | 1 |
Data from ChEMBL 36 via Core Engine