Compound Detail
CHEMBL4102560
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CNc1ncc2c(n1)N(CCCNC(=O)/C=C/CN(C)C)C(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2
Basic Information
| ChEMBL ID | CHEMBL4102560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODGUJMYPUJPRKK-SOFGYWHQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
3.41
ALogP
8
HBA
2
HBD
112.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.75 | 8.75 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 1.77 | nM | 8.75 | Inhibition of human recombinant His-tagged FGFR1 cytoplasmic domain (308 to 731 ... | 28521156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28521156 | 10.1016/j.ejmech.2017.04.049 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine