Compound Detail
CHEMBL1546739
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Basic Information
| ChEMBL ID | CHEMBL1546739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDMKQYJFAWVQOA-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
3.40
ALogP
5
HBA
1
HBD
57.0
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.84
IC50 3 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 6.84 | 6.84 | 145.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.71 | 6.71 | 195.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.61 | 6.61 | 244.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.48 | 5.48 | 3327.0 | 1 |
| Mucolipin-3 CHEMBL1293243 | EC50 | 5.26 | 5.26 | 5440.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.17 | 5.17 | 6830.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.64 | 4.64 | 23100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 145.0 | nM | 6.84 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 195.0 | nM | 6.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Streptococcus sp. 'group A' | EC50 | = | 244.0 | nM | 6.61 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 3327.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Mucolipin-3 | EC50 | = | 5440.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Dose response cell-based high-throughput screening assay for a... | - |
| Kappa-type opioid receptor | IC50 | = | 6830.0 | nM | 5.17 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| C-C chemokine receptor type 6 | IC50 | = | 23100.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine