Compound Detail
CHEMBL1559226
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Basic Information
| ChEMBL ID | CHEMBL1559226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTUKEQREUWREAO-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
3.74
ALogP
4
HBA
1
HBD
36.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.37 | 5.37 | 4309.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.09 | 5.09 | 8174.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.05 | 5.05 | 8998.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | EC50 | 4.7 | 4.7 | 20200.0 | 1 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.53 | 4.53 | 29700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 4309.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 8174.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 8998.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Hexokinase HKDC1 | EC50 | = | 20200.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| Hexokinase-1 | EC50 | = | 29700.0 | nM | 4.53 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
Data from ChEMBL 36 via Core Engine