Compound Detail
CHEMBL1574982
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Basic Information
| ChEMBL ID | CHEMBL1574982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYVASTQFSXAUPG-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
271.7
MW (Da)
3.86
ALogP
2
HBA
2
HBD
64.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.57
IC50 2 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.57 | 5.35 | 2672.0 | 2 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.53 | 5.49 | 2980.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.22 | 5.22 | 6034.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.5 | 4.5 | 31449.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2672.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 2980.0 | nM | 5.53 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 3530.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Streptokinase A | EC50 | = | 6034.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 7482.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Streptococcus sp. 'group A' | EC50 | = | 31449.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine