Compound Detail
CHEMBL5570406
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COc1cncc(C#Cc2cc(C(=O)Nc3ccc4c(c3)C(F)(F)C[C@@H]4N3CCN(C)CC3)ccc2F)c1
Basic Information
| ChEMBL ID | CHEMBL5570406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWCUYDDWUFSZAY-MHZLTWQESA-N |
9
Targets
9
Activities
1
Assay Types
13
PK Parameters
16
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
4.67
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.79 | 7.79 | 16.1 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.62 | 7.62 | 24.2 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Cytochrome P450 3A4/3A5 CHEMBL2111472 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 4.42 | 4.42 | 38400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3080.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 3144.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 623.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 656.0 | ng.hr.mL-1 | Mus musculus |
| CL | 25.68 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 0.224 | ug.mL-1 | Mus musculus |
| F | 47.9 | % | Mus musculus |
| MRT | 9.67 | hr | Mus musculus |
| MRT | 7.31 | hr | Mus musculus |
| T1/2 | 6.03 | hr | Mus musculus |
| T1/2 | 5.64 | hr | Mus musculus |
| Tmax | 4.0 | hr | Mus musculus |
| Vd | 12.42 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine