Compound Detail
CHEMBL4573749
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Basic Information
| ChEMBL ID | CHEMBL4573749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHUSLLFFMBFTGD-JYRVWZFOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.9
MW (Da)
5.41
ALogP
6
HBA
1
HBD
79.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| Lymphoma cell line CHEMBL614114 | IC50 | 5.27 | 5.27 | 5360.0 | 1 |
| NAMALVA CHEMBL614049 | IC50 | 5.03 | 5.03 | 9410.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 4.81 | 4.81 | 15580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 980.0 | nM | 6.01 | Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... | - |
| Lymphoma cell line | IC50 | = | 5360.0 | nM | 5.27 | Cytotoxicity against mouse E-mu-Myc lymphoma cells assessed as decrease in cell ... | - |
| NAMALVA | IC50 | = | 9410.0 | nM | 5.03 | Cytotoxicity against human NAMALWA cells assessed as decrease in cell viability ... | - |
| NCI-H1975 | IC50 | = | 15580.0 | nM | 4.81 | Cytotoxicity against human NCI-H1975 cells assessed as decrease in cell viabilit... | - |
Data from ChEMBL 36 via Core Engine