Compound Detail
CHEMBL166129
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Basic Information
| ChEMBL ID | CHEMBL166129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRDZJDOJZXPFQE-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
2.49
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.76 | 6.545 | 174.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.33 | 6.33 | 463.0 | 1 |
| OVCAR-3 CHEMBL614213 | IC50 | 5.71 | 5.71 | 1968.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.17 | 5.17 | 6713.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 174.0 | nM | 6.76 | Tested against L1210 sensitive murine leukemia cells by MTT tetrazolium dye assa... | 8459403 |
| Unchecked | IC50 | = | 463.0 | nM | 6.33 | Tested against UACC375 human melanoma cancer cells by sulforhodamine B (SRB) ass... | 8459403 |
| L1210 | IC50 | = | 463.0 | nM | 6.33 | Tested against L1210 resistant murine leukemia cells by MTT tetrazolium dye assa... | 8459403 |
| OVCAR-3 | IC50 | = | 1968.0 | nM | 5.71 | Tested against OVCAR-3 human ovarian cancer cells by sulforhodamine B (SRB) assa... | 8459403 |
| NON-PROTEIN TARGET | IC50 | = | 6713.0 | nM | 5.17 | Tested for in vitro for cardiotoxicity by performing neonatal rat heart myocyte ... | 8459403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8459403 | 10.1021/jm00058a014 | Unchecked | 2 |
| 8459403 | 10.1021/jm00058a014 | L1210 | 2 |
| 8459403 | 10.1021/jm00058a014 | OVCAR-3 | 1 |
| 8459403 | 10.1021/jm00058a014 | NON-PROTEIN TARGET | 1 |
| 8459403 | 10.1021/jm00058a014 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine