Compound Detail
CHEMBL3681282
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Cc1nc2cc(-n3ncc(C(=O)c4cc5c(NC(CO)CO)cccc5[nH]4)c3N)ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL3681282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPJRQSVFOCSTQP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
2.12
ALogP
8
HBA
6
HBD
157.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 4.2 | nM | 8.38 | Enzyme Inhibition Assay: The FGFR1-inhibiting activity was measured based on the... | - |
| Fibroblast growth factor receptor 3 | IC50 | = | 5.6 | nM | 8.25 | Enzyme Inhibition Assay: The FGFR3-inhibiting activity was measured based on the... | - |
| Fibroblast growth factor receptor 2 | IC50 | = | 6.0 | nM | 8.22 | Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the... | - |
Data from ChEMBL 36 via Core Engine