Compound Detail
CHEMBL3798625
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COc1cc(CCc2cc(Nc3ncnc4cc(N5C[C@@H](C)N(C)[C@@H](C)C5)ccc34)n[nH]2)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL3798625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZGHBQVWFXWJBG-KDURUIRLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
4.43
ALogP
8
HBA
2
HBD
91.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of recombinant FGFR2 (unknown origin) using (Glu,Tyr)4:1 as substrate... | 27117427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27117427 | 10.1016/j.bmcl.2016.04.028 | Fibroblast growth factor receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine