Compound Detail
CHEMBL3686864
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CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL3686864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDEGANXKDGRJLR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
5.48
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor 2 CHEMBL3107 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.0 | 8.0 | 10.1 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 6.19 | 6.19 | 651.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor 2 | IC50 | = | 6.4 | nM | 8.19 | ADP-Glo Kinase Assay: In this assay, the inhibitory activity of a test substance... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 7.9 | nM | 8.1 | ADP-Glo Kinase Assay: In this assay, the inhibitory activity of a test substance... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 10.1 | nM | 8.0 | ADP-Glo Kinase Assay: In this assay, the inhibitory activity of a test substance... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 651.1 | nM | 6.19 | ADP-Glo Kinase Assay: In this assay, the inhibitory activity of a test substance... | - |
Data from ChEMBL 36 via Core Engine