Compound Detail
CHEMBL3941999
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COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccccc3NC(=O)/C=C/Cl)ncn2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL3941999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJRNERRNFRDHLE-CMDGGOBGSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
551.8
MW (Da)
5.90
ALogP
7
HBA
3
HBD
117.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 8.52 | 8.184 | 3.0 | 5 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.41 | 5.41 | 3920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 4 | IC50 | = | 3.0 | nM | 8.52 | Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 8.0 | nM | 8.1 | Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 8.0 | nM | 8.1 | Binding Assay: Purified, recombinant FGFR4 was pre-incubated with 10 μM compound... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 8.0 | nM | 8.1 | Kinase Activity Inhibition Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 8.0 | nM | 8.1 | Inhibition Activity Assay: Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 3920.0 | nM | 5.41 | Kinase HotSpotâ¿¢ Assay: Compounds were profiled for FGFR inhibition activity at... | - |
Data from ChEMBL 36 via Core Engine