Compound Detail
CHEMBL1410479
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Basic Information
| ChEMBL ID | CHEMBL1410479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHWMYOVHNKVDMK-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
335.8
MW (Da)
4.19
ALogP
3
HBA
2
HBD
67.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.76
IC50 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.76 | 5.24 | 1733.0 | 2 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.74 | 5.74 | 1819.6 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.53 | 5.53 | 2925.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.48 | 4.48 | 33177.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 1733.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Calpain-2 catalytic subunit | IC50 | = | 1819.64 | nM | 5.74 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2925.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| X-box-binding protein 1 | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Streptokinase A | EC50 | = | 18853.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Streptococcus | EC50 | = | 33177.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine