Compound Detail
CHEMBL3701274
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COc1cc(C#Cc2cn(C3CN(C(=O)/C=C/CN4CC[C@H](O)C4)C3)c3ncnc(N)c23)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL3701274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTDWYXQAKOWNAV-SHTLVRLNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
1.44
ALogP
9
HBA
2
HBD
119.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 0.7 | nM | 9.15 | Inhibition Assay: Purified recombinant human FGFR3 protein was purchased from Ca... | - |
| Fibroblast growth factor receptor 1 | IC50 | = | 3.1 | nM | 8.51 | Inhibition Assay: Purified recombinant human FGFR4 protein was purchased from Ca... | - |
| Fibroblast growth factor receptor 4 | IC50 | = | 19.0 | nM | 7.72 | Inhibition Assay: Purified recombinant human FGFR4 protein was purchased from Ca... | - |
Data from ChEMBL 36 via Core Engine