Compound Detail
CHEMBL1489865
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Basic Information
| ChEMBL ID | CHEMBL1489865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWCMPDSDUTVZMW-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
4.97
ALogP
6
HBA
1
HBD
89.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.42
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.42 | 5.42 | 3778.0 | 1 |
| NS3 CHEMBL1293269 | IC50 | 5.24 | 5.24 | 5739.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.2 | 5.2 | 6280.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.41 | 4.41 | 38586.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 3778.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| NS3 | IC50 | = | 5739.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Streptokinase A | EC50 | = | 6280.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 38586.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine