Compound Detail
CHEMBL5998134
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C=CC(=O)N1CCN(CCCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NCC(F)(F)F)nc32)CC1
Basic Information
| ChEMBL ID | CHEMBL5998134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXMYXVQTSAHUJU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
629.5
MW (Da)
4.48
ALogP
9
HBA
1
HBD
101.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.0 | 8.6975 | 1.0 | 4 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.79 | 7.79 | 16.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 1.0 | nM | 9.0 | Caliper-Based Kinase Assay: A Caliper-based kinase assay (Caliper Life Sciences,... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 1.0 | nM | 9.0 | FGFR Family Enzymatic Activity Assay: A Caliper-based kinase assay (Caliper Life... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 1.0 | nM | 9.0 | Enzymatic Activity Assay: A Caliper-based kinase assay (Caliper Life Sciences, H... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 16.1 | nM | 7.79 | Enzymatic Activity Assay: A Caliper-based kinase assay (Caliper Life Sciences, H... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 16.1 | nM | 7.79 | Inhibition of FGFR2-Dependent Cell Growth: The cell-based effects of FGFR inhibi... | - |
Data from ChEMBL 36 via Core Engine