Compound Detail
CHEMBL61064
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Basic Information
| ChEMBL ID | CHEMBL61064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZMKCXFRVCEKSF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.55
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 6.05 | 6.05 | 887.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| P388 CHEMBL389 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lewis lung carcinoma cell line | IC50 | = | 887.0 | nM | 6.05 | Inhibitory activity against Lewis lung carcinoma cells | 11384245 |
| Jurkat | IC50 | = | 1010.0 | nM | 6.0 | Inhibitory activity against Jurkat human leukemia cells | 11384245 |
| P388 | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory activity against P388 murine leukemia cells | 11384245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384245 | 10.1021/jm010041l | Jurkat | 3 |
| 11384245 | 10.1021/jm010041l | P388 | 1 |
| 11384245 | 10.1021/jm010041l | Lewis lung carcinoma cell line | 1 |
Data from ChEMBL 36 via Core Engine