Compound Detail
CHEMBL1299566
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Basic Information
| ChEMBL ID | CHEMBL1299566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZUUEUWBDJEVMC-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.3
MW (Da)
4.42
ALogP
8
HBA
1
HBD
124.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.99
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.99 | 6.99 | 102.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.66 | 5.66 | 2182.0 | 1 |
| NS3 CHEMBL1293269 | IC50 | 5.46 | 5.46 | 3427.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.27 | 5.065 | 5346.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.0 | 5.0 | 10014.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.31 | 4.31 | 49281.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 102.0 | nM | 6.99 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2182.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| NS3 | IC50 | = | 3427.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptokinase A | EC50 | = | 5346.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 10014.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptokinase A | EC50 | = | 13811.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Unchecked | IC50 | = | 49281.0 | nM | 4.31 | PUBCHEM_BIOASSAY: Absorbance-based bacterial cell-based high throughput dose res... | - |
Data from ChEMBL 36 via Core Engine