Compound Detail
CHEMBL2037215
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O=C1Nc2cc(Nc3cccc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)c3)ccc2/C1=C/c1ccc[nH]1
Basic Information
| ChEMBL ID | CHEMBL2037215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDYVZTQFTMMEEH-UQQQWYQISA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
573.6
MW (Da)
6.36
ALogP
5
HBA
4
HBD
98.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.7 | 7.3533 | 20.0 | 3 |
| ADMET CHEMBL612558 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 20.0 | nM | 7.7 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKB | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 22.0 | nM | 7.66 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-TRKA | 24900443 |
| NON-PROTEIN TARGET | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against mouse BA/F3 cells expressing Tel-KDR | 24900443 |
| ADMET | IC50 | = | 4300.0 | nM | 5.37 | Antiproliferative activity against wild type mouse BA/F3 cells in presence of IL... | 24900443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900443 | 10.1021/ml200261d | NON-PROTEIN TARGET | 3 |
| 24900443 | 10.1021/ml200261d | ADMET | 1 |
Data from ChEMBL 36 via Core Engine