Compound Detail
CHEMBL3196867
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Basic Information
| ChEMBL ID | CHEMBL3196867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGVUNFQPIWHNIU-DNTJNYDQSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
379.3
MW (Da)
5.19
ALogP
4
HBA
2
HBD
61.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.75
IC50 3 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.75 | 5.75 | 1771.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.62 | 5.62 | 2384.5 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.61 | 5.61 | 2483.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.36 | 5.36 | 4407.1 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.18 | 5.18 | 6649.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.88 | 4.88 | 13171.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 1771.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Calpain-2 catalytic subunit | IC50 | = | 2384.53 | nM | 5.62 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2483.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 4407.09 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Streptococcus | EC50 | = | 6649.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 13171.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... | - |
Data from ChEMBL 36 via Core Engine