Compound Detail
CHEMBL1566530
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Basic Information
| ChEMBL ID | CHEMBL1566530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIZIUORFVVXUMS-LZYBPNLTSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.8
MW (Da)
4.97
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.71
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.71 | 5.71 | 1965.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.68 | 5.68 | 2081.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.23 | 5.23 | 5898.0 | 1 |
| Envelope glycoprotein gp160 CHEMBL1293311 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 1965.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 2081.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 4700.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Streptococcus | EC50 | = | 5898.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Envelope glycoprotein gp160 | IC50 | = | 14300.0 | nM | 4.84 | PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immuno... | - |
Data from ChEMBL 36 via Core Engine