Compound Detail
CHEMBL3197314
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Basic Information
| ChEMBL ID | CHEMBL3197314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAUYUFMPMBGFKL-LPYMAVHISA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
3.04
ALogP
7
HBA
2
HBD
122.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.5 | 6.0975 | 319.0 | 4 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.06 | 6.06 | 879.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.97 | 5.97 | 1079.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 319.0 | nM | 6.5 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 751.0 | nM | 6.12 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 777.0 | nM | 6.11 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Streptokinase A | EC50 | = | 879.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 1079.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 2203.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
Data from ChEMBL 36 via Core Engine