Compound Detail
CHEMBL3195531
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Basic Information
| ChEMBL ID | CHEMBL3195531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFEOIQXNGDXRIF-YDZHTSKRSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.47
ALogP
8
HBA
1
HBD
119.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.76
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 6.0 | 5.245 | 990.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.76 | 5.76 | 1734.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.33 | 5.33 | 4653.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.24 | 5.24 | 5713.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.64 | 4.625 | 22763.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 990.0 | nM | 6.0 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Streptokinase A | EC50 | = | 1734.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 4653.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Streptococcus sp. 'group A' | EC50 | = | 5713.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 22763.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
| Unchecked | EC50 | = | 24316.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
| SUMO-activating enzyme | IC50 | = | 32070.0 | nM | 4.49 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
Data from ChEMBL 36 via Core Engine