Compound Detail
CHEMBL1374924
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Basic Information
| ChEMBL ID | CHEMBL1374924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPEBRLWUJRTXGU-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
4.94
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.07
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.45 | 5.45 | 3550.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.07 | 4.655 | 8609.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.86 | 4.86 | 13817.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.74 | 4.74 | 18045.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3550.0 | nM | 5.45 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
| Streptokinase A | EC50 | = | 8609.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 13817.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 18045.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Streptokinase A | EC50 | = | 57816.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
Data from ChEMBL 36 via Core Engine