Compound Detail
CHEMBL3192817
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Basic Information
| ChEMBL ID | CHEMBL3192817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDZBUSRFBADTGY-VCHYOVAHSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
2.24
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.52 | 5.52 | 3049.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.36 | 5.36 | 4393.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.19 | 4.685 | 6390.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.17 | 5.17 | 6823.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 3049.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 4393.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 6390.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
| Streptococcus | EC50 | = | 6823.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | EC50 | = | 66113.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Data from ChEMBL 36 via Core Engine