Compound Detail
CHEMBL1784742
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C=CCSc1ccc2c3c(cccc13)C1=NC(=O)C(C(=O)OCC(=O)OCC(F)(F)C(F)(F)F)=C12
Basic Information
| ChEMBL ID | CHEMBL1784742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVVXFTANYNUPOQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
511.4
MW (Da)
4.50
ALogP
6
HBA
0
HBD
82.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.37 | 6.37 | 424.0 | 1 |
| BXPC-3 CHEMBL614530 | IC50 | 4.42 | 4.42 | 38500.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.34 | 4.34 | 45600.0 | 1 |
| T-24 CHEMBL614774 | IC50 | 4.06 | 4.06 | 86400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 424.0 | nM | 6.37 | Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA | 21517068 |
| BXPC-3 | IC50 | = | 38500.0 | nM | 4.42 | Antiproliferative activity against human BxPC3 cells expressing FGFR after 72 hr... | 21517068 |
| WI-38 | IC50 | = | 45600.0 | nM | 4.34 | Antiproliferative activity against human WI38 cells expressing FGFR after 72 hrs... | 21517068 |
| T-24 | IC50 | = | 86400.0 | nM | 4.06 | Antiproliferative activity against human T24 cells expressing FGFR after 72 hrs ... | 21517068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21517068 | 10.1021/jm200258t | Fibroblast growth factor receptor 1 | 1 |
| 21517068 | 10.1021/jm200258t | T-24 | 1 |
| 21517068 | 10.1021/jm200258t | WI-38 | 1 |
| 21517068 | 10.1021/jm200258t | BXPC-3 | 1 |
Data from ChEMBL 36 via Core Engine