Compound Detail
CHEMBL3197778
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Basic Information
| ChEMBL ID | CHEMBL3197778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJVPYGXUZHQAQH-LPYMAVHISA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.70
ALogP
6
HBA
3
HBD
90.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.34
IC50 3 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.34 | 5.34 | 4566.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.27 | 5.06 | 5366.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.27 | 5.105 | 5350.0 | 2 |
| MDM2-MDMX CHEMBL4106123 | IC50 | 5.17 | 5.17 | 6710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 4566.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 5366.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 5350.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| MDM2-MDMX | IC50 | = | 6710.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| Unchecked | IC50 | = | 11478.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of Inhibitors of Mdm2/MdmX interact... | - |
| Streptokinase A | EC50 | = | 13992.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
Data from ChEMBL 36 via Core Engine