Compound Detail
CHEMBL4062003
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C=CC(=O)N1CCN(CCn2c(=O)c(-c3c(Cl)c(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)CC1
Basic Information
| ChEMBL ID | CHEMBL4062003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZMMTZOZIZQHCK-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
547.4
MW (Da)
3.15
ALogP
9
HBA
1
HBD
101.8
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.92 | 8.5733 | 1.2 | 6 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| SNU-16 CHEMBL613529 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28665128 | 10.1021/acs.jmedchem.7b00360 | Fibroblast growth factor receptor 1 | 4 |
| 28665128 | 10.1021/acs.jmedchem.7b00360 | SNU-16 | 1 |
| 28665128 | 10.1021/acs.jmedchem.7b00360 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine