Compound Detail
CHEMBL1457403
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1457403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOVNSGGBTSIUGX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1621499 |
| Active Moiety | CHEMBL1621499 |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.09
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.97
EC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.97 | 5.645 | 1080.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.64 | 5.64 | 2310.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.58 | 4.89 | 2620.0 | 4 |
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 | = | 1080.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| Unchecked | EC50 | = | 2310.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Confirmation dose response of additional hit compounds from hi... | - |
| Unchecked | IC50 | = | 2620.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 2720.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 4790.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Unchecked | IC50 | = | 57500.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Unchecked | IC50 | = | 67700.0 | nM | 4.17 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of T-ce... | - |
Data from ChEMBL 36 via Core Engine