Compound Detail
CHEMBL5630288
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C=CC(=O)Nc1cc(N2CCOCC2)ccc1-c1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL5630288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVYHDBRVJVNFRM-MRXNPFEDSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
538.4
MW (Da)
6.03
ALogP
6
HBA
2
HBD
92.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.02283 | hr | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against mouse BaF3 cells harbouring ETV6-FGFR4-V550L ... | 37437349 |
| Fibroblast growth factor receptor 4 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of FGFR4 (445 to 753 residues) (unknown origin) expressed in Escheric... | 37437349 |
| Huh-7 | IC50 | = | 17.0 | nM | 7.77 | Antiproliferative activity against human Huh-7 cells measured after 24 to 48 hrs... | 37437349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37437349 | 10.1016/j.ejmech.2023.115628 | BaF3 | 2 |
| 37437349 | 10.1016/j.ejmech.2023.115628 | Fibroblast growth factor receptor 1 | 1 |
| 37437349 | 10.1016/j.ejmech.2023.115628 | Fibroblast growth factor receptor 4 | 1 |
| 37437349 | 10.1016/j.ejmech.2023.115628 | Huh-7 | 1 |
| 37437349 | 10.1016/j.ejmech.2023.115628 | ADMET | 1 |
| 37437349 | 10.1016/j.ejmech.2023.115628 | Fibroblast growth factor receptor 2 | 1 |
| 37437349 | 10.1016/j.ejmech.2023.115628 | Fibroblast growth factor receptor 3 | 1 |
| 37437349 | 10.1016/j.ejmech.2023.115628 | L02 | 1 |
Data from ChEMBL 36 via Core Engine