Compound Detail
CHEMBL4086567
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C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NCCN4CCN(C)CC4)nc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4086567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKMKYYPXMLXAQK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
632.2
MW (Da)
4.16
ALogP
10
HBA
2
HBD
113.8
PSA (Ų)
0.22
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| SNU-16 CHEMBL613529 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated ... | 28665128 |
| SNU-16 | IC50 | = | 2.1 | nM | 8.68 | 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 | 3 |
| 28665128 | 10.1021/acs.jmedchem.7b00360 | SNU-16 | 1 |
| 28665128 | 10.1021/acs.jmedchem.7b00360 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine