Compound Detail
CHEMBL4100201
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C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NCC(O)CO)nc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4100201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRUDYJIKCDGNFP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
580.0
MW (Da)
3.26
ALogP
10
HBA
4
HBD
147.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.41 | 7.92 | 3.9 | 2 |
| SNU-16 CHEMBL613529 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated ... | 28665128 |
| Fibroblast growth factor receptor 1 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphory... | 28665128 |
| SNU-16 | IC50 | = | 51.0 | nM | 7.29 | Antiproliferative activity against human SNU16 cells over-expressing FGFR2 after... | 28665128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28665128 | 10.1021/acs.jmedchem.7b00360 | Fibroblast growth factor receptor 1 | 2 |
| 28665128 | 10.1021/acs.jmedchem.7b00360 | SNU-16 | 1 |
Data from ChEMBL 36 via Core Engine