Compound Detail
CHEMBL1477640
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Basic Information
| ChEMBL ID | CHEMBL1477640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLRWIRBFDUKCMN-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
5.55
ALogP
5
HBA
1
HBD
78.1
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.95
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.95 | 5.65 | 1124.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.55 | 5.09 | 2799.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.46 | 5.46 | 3494.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.76 | 4.76 | 17450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1124.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptokinase A | EC50 | = | 2799.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3494.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 4448.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Kappa-type opioid receptor | IC50 | = | 8400.0 | nM | 5.08 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Beta-galactosidase | EC50 | = | 17450.0 | nM | 4.76 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| Streptokinase A | EC50 | = | 23374.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
Data from ChEMBL 36 via Core Engine