Compound Detail
CHEMBL3191871
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Basic Information
| ChEMBL ID | CHEMBL3191871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBVFSUVRAAPAKQ-UFFVCSGVSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
375.2
MW (Da)
5.40
ALogP
4
HBA
2
HBD
74.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.92
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.92 | 6.5533 | 121.0 | 3 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.66 | 5.66 | 2165.9 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.61 | 5.61 | 2485.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.61 | 5.61 | 2435.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.58 | 5.58 | 2609.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 121.0 | nM | 6.92 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... | - |
| Unchecked | EC50 | = | 384.0 | nM | 6.42 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Unchecked | EC50 | = | 482.0 | nM | 6.32 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2165.89 | nM | 5.66 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2435.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 2485.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 2609.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine