Compound Detail
CHEMBL1331770
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Basic Information
| ChEMBL ID | CHEMBL1331770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXOPKODTVDTKHL-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
1.63
ALogP
5
HBA
3
HBD
100.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.33
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 6.19 | 6.09 | 640.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.33 | 5.33 | 4622.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.16 | 5.16 | 6965.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.01 | 5.01 | 9810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 640.0 | nM | 6.19 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 1030.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4622.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 6965.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 9810.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine