Compound Detail
CHEMBL3192533
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Basic Information
| ChEMBL ID | CHEMBL3192533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWFVUIWEJUAGOA-KEBDBYFISA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
3.61
ALogP
6
HBA
1
HBD
88.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.3
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptokinase A CHEMBL1293228 | EC50 | 5.3 | 5.17 | 5026.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.17 | 5.17 | 6717.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.03 | 4.76 | 9238.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 4.72 | 4.72 | 19137.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptokinase A | EC50 | = | 5026.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 6717.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 9084.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify I... | - |
| Unchecked | IC50 | = | 9238.0 | nM | 5.03 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Streptococcus | EC50 | = | 19137.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 32479.0 | nM | 4.49 | PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... | - |
Data from ChEMBL 36 via Core Engine