Compound Detail
CHEMBL4588527
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Basic Information
| ChEMBL ID | CHEMBL4588527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKKDRXRBYRREIN-FSJBWODESA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
2.74
ALogP
7
HBA
3
HBD
138.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.59
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H2171 CHEMBL2366213 | EC50 | 8.59 | 8.59 | 2.6 | 1 |
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H2171 | EC50 | = | 2.59 | nM | 8.59 | Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... | - |
| Myc proto-oncogene protein | IC50 | = | 1660.0 | nM | 5.78 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
Data from ChEMBL 36 via Core Engine