Compound Detail
CHEMBL4584112
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Basic Information
| ChEMBL ID | CHEMBL4584112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXLWXXVAQJSWMK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
4.43
ALogP
5
HBA
2
HBD
88.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.12
IC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM1.S CHEMBL4296471 | EC50 | 4.12 | 4.12 | 75300.0 | 1 |
| NCI-H2171 CHEMBL2366213 | EC50 | 4.05 | 4.05 | 89100.0 | 1 |
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 4.02 | 4.02 | 96000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM1.S | EC50 | = | 75300.0 | nM | 4.12 | Cytotoxic activity against human MM1S cells assessed as reduction in cell viabil... | - |
| NCI-H2171 | EC50 | = | 89100.0 | nM | 4.05 | Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... | - |
| Myc proto-oncogene protein | IC50 | = | 96000.0 | nM | 4.02 | Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... | - |
Data from ChEMBL 36 via Core Engine