Compound Detail
CHEMBL5558636
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Basic Information
| ChEMBL ID | CHEMBL5558636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SECZNHBHHKOBMC-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
3.61
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| KYSE-150 cell line CHEMBL613998 | IC50 | 5.16 | 5.16 | 6860.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.4 | 4.4 | 39950.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.29 | 4.29 | 51120.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.09 | 4.09 | 80960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 0.58 | nM | 9.24 | Inhibition of FGFR1 (unknown origin) by ELISA | 38643670 |
| Fibroblast growth factor receptor 4 | IC50 | = | 2.86 | nM | 8.54 | Inhibition of FGFR4 (unknown origin) by ELISA | 38643670 |
| MDA-MB-435 | IC50 | = | 3300.0 | nM | 5.48 | Antiproliferative activity against human MDA-MB-435 cells assessed as inhibition... | 38643670 |
| KYSE-150 cell line | IC50 | = | 6860.0 | nM | 5.16 | Antiproliferative activity against human KYSE-150 cells assessed as inhibition o... | 38643670 |
| MDA-MB-231 | IC50 | = | 39950.0 | nM | 4.4 | Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition... | 38643670 |
| HepG2 | IC50 | = | 51120.0 | nM | 4.29 | Antiproliferative activity against human HepG2 cells assessed as inhibition of c... | 38643670 |
| HUVEC | IC50 | = | 80960.0 | nM | 4.09 | Cytotoxicity against HUVEC cells assessed as inhibition of cell growth incubated... | 38643670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38643670 | 10.1016/j.ejmech.2024.116415 | MDA-MB-435 | 2 |
| 38643670 | 10.1016/j.ejmech.2024.116415 | Fibroblast growth factor receptor 1 | 1 |
| 38643670 | 10.1016/j.ejmech.2024.116415 | Fibroblast growth factor receptor 4 | 1 |
| 38643670 | 10.1016/j.ejmech.2024.116415 | Unchecked | 1 |
| 38643670 | 10.1016/j.ejmech.2024.116415 | MDA-MB-231 | 1 |
| 38643670 | 10.1016/j.ejmech.2024.116415 | KYSE-150 cell line | 1 |
| 38643670 | 10.1016/j.ejmech.2024.116415 | HepG2 | 1 |
| 38643670 | 10.1016/j.ejmech.2024.116415 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine