Compound Detail
CHEMBL3681314
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Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(CN6CCC(F)(F)CC6)cc5[nH]4)c3N)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3681314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTZMRUFJZIGILY-UHFFFAOYSA-N |
8
Targets
15
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
4.58
ALogP
6
HBA
3
HBD
108.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.54 | 8.5333 | 2.9 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.22 | 6.86 | 6.0 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.03 | 8.03 | 9.4 | 3 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 6.89 | 6.89 | 130.0 | 3 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.g-1 | Homo sapiens |
| F | 5.0 | % | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933954 | 10.1021/acs.jmedchem.6b01156 | NON-PROTEIN TARGET | 3 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | ADMET | 2 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Vascular endothelial growth factor receptor 2 | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Fibroblast growth factor receptor 4 | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Fibroblast growth factor receptor 3 | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Fibroblast growth factor receptor 2 | 1 |
| 27933954 | 10.1021/acs.jmedchem.6b01156 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine