Compound Detail
CHEMBL1532819
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Basic Information
| ChEMBL ID | CHEMBL1532819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZZMLQUIUHVURI-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
4.52
ALogP
6
HBA
1
HBD
60.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.16
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 6.22 | 6.22 | 608.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.59 | 2561.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.16 | 5.16 | 6992.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.16 | 5.16 | 6891.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.9 | 4.9 | 12718.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-2 catalytic subunit | IC50 | = | 608.01 | nM | 6.22 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Unchecked | IC50 | = | 2561.0 | nM | 5.59 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Streptococcus sp. 'group A' | EC50 | = | 6891.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 6992.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 12718.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine