Compound Detail
CHEMBL3681271
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Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(CN6C(C)CCC6C)ccc5[nH]4)c3N)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3681271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFFXKEYAEKHCQX-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.72
ALogP
6
HBA
3
HBD
108.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 9.49 | 9.49 | 0.3 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 0.32 | nM | 9.49 | Enzyme Inhibition Assay: The FGFR1-inhibiting activity was measured based on the... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 0.32 | nM | 9.49 | Inhibition Kinase Activity Assay: The FGFR1 inhibitory activities of compounds w... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 12.0 | nM | 7.92 | Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 12.0 | nM | 7.92 | Enzyme Inhibition Assay: The FGFR3-inhibiting activity was measured based on the... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition Kinase Activity Assay: The FGFR2 inhibitory activities of compounds l... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 12.0 | nM | 7.92 | Inhibition Kinase Activity Assay: The FGFR3 inhibitory activities of compounds l... | - |
Data from ChEMBL 36 via Core Engine