Compound Detail
CHEMBL5633382
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COc1cc(OC)c(F)c(/C=C/c2cnc3c(n2)N(S(=O)(=O)c2cn(CCF)cn2)CC3)c1F
Basic Information
| ChEMBL ID | CHEMBL5633382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWSBCWMPDMUMPO-ONEGZZNKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
2.86
ALogP
8
HBA
0
HBD
99.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KG-1 CHEMBL612264 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KG-1 | IC50 | = | 0.5 | nM | 9.3 | Antiproliferative activity against FGFR1-translocated human KG-1 cells assessed ... | 37300915 |
| Fibroblast growth factor receptor 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human recombinant FGFR1 (461 to 768 residues) expressed in Escheri... | 37300915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37300915 | 10.1016/j.ejmech.2023.115544 | Fibroblast growth factor receptor 1 | 1 |
| 37300915 | 10.1016/j.ejmech.2023.115544 | KG-1 | 1 |
Data from ChEMBL 36 via Core Engine