Compound Detail
CHEMBL4061286
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C=CC(=O)Nc1ccc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)cn1
Basic Information
| ChEMBL ID | CHEMBL4061286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDLNINVBTVBXRE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
3.93
ALogP
9
HBA
2
HBD
120.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.89 | 8.845 | 1.3 | 2 |
| SNU-16 CHEMBL613529 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.85 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of human FGFR1 using 5-FAM-KKKKEEIYFFF-NH2 as substrate preincubated ... | 28665128 |
| SNU-16 | IC50 | = | 1.4 | nM | 8.85 | Antiproliferative activity against human SNU16 cells over-expressing FGFR2 after... | 28665128 |
| Fibroblast growth factor receptor 1 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of FGFR1 in HUVEC assessed as reduction in FGF2-induced ERK phosphory... | 28665128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28665128 | 10.1021/acs.jmedchem.7b00360 | Fibroblast growth factor receptor 1 | 4 |
| 28665128 | 10.1021/acs.jmedchem.7b00360 | SNU-16 | 1 |
| 28665128 | 10.1021/acs.jmedchem.7b00360 | Blood | 1 |
Data from ChEMBL 36 via Core Engine