Compound Detail
CHEMBL2048740
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Cc1cn(-c2cc(NC(=O)c3ccc(-c4ccc5c(NC(=O)C6CC6)n[nH]c5c4)s3)cc(C(F)(F)F)c2)cn1
Basic Information
| ChEMBL ID | CHEMBL2048740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPWFQYHRAVOPDZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
6.41
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BaF3 CHEMBL614524 | EC50 | 6.92 | 6.905 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BaF3 | EC50 | = | 120.0 | nM | 6.92 | Antiproliferative activity against wild type mouse BAF3 cells | 22727638 |
| BaF3 | EC50 | = | 130.0 | nM | 6.89 | Antiproliferative activity against mouse BAF3 cells expressing PDGFRalpha T674M ... | 22727638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22727638 | 10.1016/j.bmcl.2012.05.107 | BaF3 | 2 |
| 22727638 | 10.1016/j.bmcl.2012.05.107 | MOLT-3 | 1 |
Data from ChEMBL 36 via Core Engine