Compound Detail
CHEMBL4091839
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C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NCCN(CC)CC)nc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4091839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQCJRAKMKUDVNK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
605.1
MW (Da)
5.25
ALogP
9
HBA
2
HBD
110.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SNU-16 CHEMBL613529 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SNU-16 | IC50 | = | 17.0 | nM | 7.77 | Antiproliferative activity against human SNU16 cells over-expressing FGFR2 after... | 28665128 |
| Fibroblast growth factor receptor 1 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated ... | 28665128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28665128 | 10.1021/acs.jmedchem.7b00360 | Fibroblast growth factor receptor 1 | 3 |
| 28665128 | 10.1021/acs.jmedchem.7b00360 | SNU-16 | 1 |
Data from ChEMBL 36 via Core Engine