Compound Detail
CHEMBL4099403
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COc1cc(Nc2ncc3c(n2)N(C2CCN(C(=O)/C=C/CN(C)C)CC2)C(=O)N(c2c(Cl)c(OC)cc(OC)c2Cl)C3)ccc1F
Basic Information
| ChEMBL ID | CHEMBL4099403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLUQPHUIWHLBAJ-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
688.6
MW (Da)
5.75
ALogP
9
HBA
1
HBD
112.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 2.28 | nM | 8.64 | 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