Compound Detail
CHEMBL4744630
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CCCCCCCCCCCCCCCCCC(=O)OCc1cn(C2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)nn1
Basic Information
| ChEMBL ID | CHEMBL4744630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIWMJSBAYBIKAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
705.9
MW (Da)
9.18
ALogP
10
HBA
0
HBD
111.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJAB CHEMBL613536 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJAB | IC50 | = | 4.0 | nM | 8.4 | Cytotoxicity against human BJAB cells | 33479639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479639 | 10.1039/c9md00458k | BJAB | 1 |
Data from ChEMBL 36 via Core Engine