Compound Detail
CHEMBL1388722
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Basic Information
| ChEMBL ID | CHEMBL1388722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXSIWBDMPGEZMX-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
317.7
MW (Da)
3.73
ALogP
5
HBA
1
HBD
93.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
EC50 3 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.72 | 5.38 | 1890.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.49 | 5.49 | 3245.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.34 | 5.34 | 4581.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.09 | 5.09 | 8091.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.795 | 11940.0 | 2 |
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 | = | 1890.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| Streptokinase A | EC50 | = | 3245.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4581.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 8091.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 9170.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Unchecked | IC50 | = | 11940.0 | nM | 4.92 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 21440.0 | nM | 4.67 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine