Compound Detail
CHEMBL1532568
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Basic Information
| ChEMBL ID | CHEMBL1532568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXXJKCVHFOPREC-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
316.1
MW (Da)
4.45
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.47
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.47 | 5.24 | 3370.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.59 | 4.33 | 25390.0 | 3 |
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 | = | 3370.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 9810.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Unchecked | IC50 | = | 25390.0 | nM | 4.59 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 47440.0 | nM | 4.32 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 83330.0 | nM | 4.08 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
Data from ChEMBL 36 via Core Engine