Compound Detail
CHEMBL1834659
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COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(OCCN4CCCC4)cc3)ncn2)c1Cl
Basic Information
| ChEMBL ID | CHEMBL1834659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCXMKEVLJQGEKJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
561.5
MW (Da)
5.69
ALogP
8
HBA
2
HBD
101.1
PSA (Ų)
0.33
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 3 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of GST-fusion FGFR3 K650E mutant using [gamma33P]ATP as substrate aft... | 21936542 |
| BaF3 | IC50 | = | 28.0 | nM | 7.55 | Antiproliferative activity against mouse BAF3 cell line transformed with TEL-FGF... | 21936542 |
| Cytochrome P450 3A4 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of CYP3A4 using DBF as substrate | 21936542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21936542 | 10.1021/jm2006222 | Cytochrome P450 3A4 | 2 |
| 21936542 | 10.1021/jm2006222 | Cytochrome P450 1A2 | 1 |
| 21936542 | 10.1021/jm2006222 | Cytochrome P450 2D6 | 1 |
| 21936542 | 10.1021/jm2006222 | Cytochrome P450 2C9 | 1 |
| 21936542 | 10.1021/jm2006222 | BaF3 | 1 |
| 21936542 | 10.1021/jm2006222 | Fibroblast growth factor receptor 3 | 1 |
| 21936542 | 10.1021/jm2006222 | Cytochrome P450 2C19 | 1 |
Data from ChEMBL 36 via Core Engine