Compound Detail
CHEMBL188431
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COc1cc(OC)cc(C2Cc3cnc(N(CCCOCc4ccccc4)C(C)=O)cc3N=C2NC(=O)NC(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL188431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGOPCAMSXJGAMS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
587.7
MW (Da)
5.53
ALogP
7
HBA
2
HBD
114.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human FGFR1 ... | 16000000 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of glutamate/tyrosine (4:1) copolymer phosphorylation by human VEGFR ... | 16000000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16000000 | 10.1021/jm0500931 | Fibroblast growth factor receptor 1 | 2 |
| 16000000 | 10.1021/jm0500931 | Vascular endothelial growth factor receptor 2 | 1 |
| 16000000 | 10.1021/jm0500931 | Platelet-derived growth factor receptor beta | 1 |
| 16000000 | 10.1021/jm0500931 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine