Compound Detail
CHEMBL3192328
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Basic Information
| ChEMBL ID | CHEMBL3192328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOZMUCHAVZBQHX-FVDSYPCUSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
4.64
ALogP
7
HBA
2
HBD
119.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.68
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.68 | 5.68 | 2097.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.62 | 5.62 | 2383.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.6 | 5.6 | 2488.3 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.04 | 5.04 | 9140.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.88 | 4.88 | 13335.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.69 | 4.69 | 20211.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 2097.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2383.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2488.28 | nM | 5.6 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| X-box-binding protein 1 | IC50 | = | 9140.0 | nM | 5.04 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Unchecked | IC50 | = | 13335.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
| Streptococcus | EC50 | = | 20211.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine