Compound Detail
CHEMBL1600566
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Basic Information
| ChEMBL ID | CHEMBL1600566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YACPFLXDNPGORQ-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.82
ALogP
6
HBA
1
HBD
96.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.68
IC50 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.68 | 5.44 | 2098.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.64 | 5.64 | 2280.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.63 | 5.63 | 2329.0 | 1 |
| NS3 CHEMBL1293269 | IC50 | 5.6 | 5.6 | 2493.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.17 | 5.17 | 6759.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 2098.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2280.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 2329.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| NS3 | IC50 | = | 2493.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptokinase A | EC50 | = | 6297.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus | EC50 | = | 6759.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine