Compound Detail
CHEMBL3199820
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Basic Information
| ChEMBL ID | CHEMBL3199820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPDAZSCVOUSMJN-YDZHTSKRSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
1.73
ALogP
11
HBA
3
HBD
160.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.39
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.39 | 5.82 | 403.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.56 | 5.56 | 2752.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.27 | 5.27 | 5371.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.24 | 5.24 | 5742.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.37 | 4.37 | 42460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 403.0 | nM | 6.39 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptokinase A | EC50 | = | 2752.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5371.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 5572.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Streptococcus | EC50 | = | 5742.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 42460.0 | nM | 4.37 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine