Compound Detail
CHEMBL1586817
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Basic Information
| ChEMBL ID | CHEMBL1586817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMVDVLWHGRISHP-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.54
ALogP
6
HBA
2
HBD
93.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.86
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.86 | 5.86 | 1371.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.18 | 5.17 | 6600.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.06 | 5.06 | 8690.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.96 | 4.96 | 11064.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 4.71 | 4.71 | 19610.3 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.47 | 4.47 | 33807.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 1371.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 6600.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Unchecked | EC50 | = | 6960.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Streptococcus sp. 'group A' | EC50 | = | 8690.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | IC50 | = | 11064.0 | nM | 4.96 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
| Calpain-2 catalytic subunit | IC50 | = | 19610.28 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Streptococcus | EC50 | = | 33807.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine