Compound Detail
CHEMBL3681273
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CN1CCC(c2ccc3[nH]c(C(=O)c4cnn(-c5ccc6[nH]c(C(F)F)nc6c5)c4N)cc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3681273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHVVNNKZAOUIQX-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
4.79
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 6 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.06 | 7.06 | 87.0 | 2 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 87.0 | nM | 7.06 | Enzyme Inhibition Assay: The FGFR1-inhibiting activity was measured based on the... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 87.0 | nM | 7.06 | Inhibition Kinase Activity Assay: The FGFR1 inhibitory activities of compounds w... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 110.0 | nM | 6.96 | Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition Kinase Activity Assay: The FGFR2 inhibitory activities of compounds l... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 130.0 | nM | 6.89 | Enzyme Inhibition Assay: The FGFR3-inhibiting activity was measured based on the... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 130.0 | nM | 6.89 | Inhibition Kinase Activity Assay: The FGFR3 inhibitory activities of compounds l... | - |
Data from ChEMBL 36 via Core Engine