Compound Detail
CHEMBL4072483
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COc1cc(OC)c(Cl)c(N2Cc3cnc(Nc4ccc(F)c(Cl)c4)nc3N(C3CCN(C(=O)/C=C/CN(C)C)CC3)C2=O)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4072483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFWKMSUHQSMDAU-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
693.0
MW (Da)
6.39
ALogP
8
HBA
1
HBD
103.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.71 | 8.71 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 1.97 | nM | 8.71 | 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