Compound Detail
CHEMBL5193032
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Basic Information
| ChEMBL ID | CHEMBL5193032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLSIYVCTRLSRIK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
5.88
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| KM12 CHEMBL614709 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of N-terminal human TRKA (436 to 790 residues) expressed in baculovir... | 35617855 |
| KM12 | IC50 | = | 28.0 | nM | 7.55 | Antiproliferative activity against human KM12 cells assessed as inhibition of ce... | 35617855 |
| BaF3 | IC50 | = | 1100.0 | nM | 5.96 | Antiproliferative activity against mouse BaF3 cells harboring TRKA G595R mutant ... | 35617855 |
| MCF7 | IC50 | = | 9100.0 | nM | 5.04 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 35617855 |
| A549 | IC50 | = | 19000.0 | nM | 4.72 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 35617855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35617855 | 10.1016/j.ejmech.2022.114451 | High affinity nerve growth factor receptor | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | KM12 | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | MCF7 | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | THLE-2 | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | BaF3 | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | A549 | 1 |
Data from ChEMBL 36 via Core Engine