Compound Detail
CHEMBL4533706
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COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(=O)O)c(-n4c(C)ccc4C)c3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4533706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNYKUQCSKQWEBJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
3.40
ALogP
5
HBA
1
HBD
92.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Jurkat CHEMBL397 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | EC50 | = | 10000.0 | nM | 5.0 | Cytotoxic activity against human Jurkat cells assessed as reduction in cell viab... | - |
| Myc proto-oncogene protein | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
Data from ChEMBL 36 via Core Engine