Compound Detail
CHEMBL4546151
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Basic Information
| ChEMBL ID | CHEMBL4546151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMGRYRIPEBUYKR-ZROIWOOFSA-N |
6
Targets
7
Activities
1
Assay Types
1
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
4.75
ALogP
6
HBA
1
HBD
79.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 6.17 | 6.17 | 670.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.57 | 5.57 | 2713.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.48 | 5.48 | 3316.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.13 | 4643.0 | 2 |
| Lymphoma cell line CHEMBL614114 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| NAMALVA CHEMBL614049 | IC50 | 4.76 | 4.76 | 17290.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | IC50 | = | 670.0 | nM | 6.17 | Inhibition of Myc (unknown origin) expressed in HEK293T cells incubated for 16 h... | - |
| NCI-H1975 | IC50 | = | 2713.0 | nM | 5.57 | Cytotoxicity against human NCI-H1975 cells assessed as decrease in cell viabilit... | - |
| HeLa | IC50 | = | 3316.0 | nM | 5.48 | Cytotoxicity against human HeLa cells assessed as decrease in cell viability inc... | - |
| Unchecked | IC50 | = | 4643.0 | nM | 5.33 | Cytotoxicity against human KLP1 cells assessed as decrease in cell viability inc... | - |
| Lymphoma cell line | IC50 | = | 10200.0 | nM | 4.99 | Cytotoxicity against mouse E-mu-Myc lymphoma cells assessed as decrease in cell ... | - |
| Unchecked | IC50 | = | 11700.0 | nM | 4.93 | Cytotoxicity against human SNUC5 cells assessed as decrease in cell viability in... | - |
| NAMALVA | IC50 | = | 17290.0 | nM | 4.76 | Cytotoxicity against human NAMALWA cells assessed as decrease in cell viability ... | - |
Data from ChEMBL 36 via Core Engine