Compound Detail
CHEMBL222215
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Basic Information
| ChEMBL ID | CHEMBL222215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEMGBXUNOYSLPO-GDNBJRDFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.01
ALogP
4
HBA
2
HBD
73.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.93 | 5.93 | 1170.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1170.0 | nM | 5.93 | Inhibition of soybean PDF using PDF/FDH coupled spectrophotometric assay | 15615515 |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 13900.0 | nM | 4.86 | Inhibition of NLRP3 inflammasome activation in PMA-differentiated human THP-1 ce... | 37672931 |
| Enoyl-acyl-carrier protein reductase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in... | 17477517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948976 | 10.1021/jm0700159 | Transthyretin | 2 |
| 15615515 | 10.1021/jm049222o | Unchecked | 1 |
| 15615515 | 10.1021/jm049222o | Peptide deformylase | 1 |
| 17477517 | 10.1021/jm061257w | Enoyl-acyl-carrier protein reductase | 1 |
| 37672931 | 10.1016/j.ejmech.2023.115784 | NACHT, LRR and PYD domains-containing protein 3 | 1 |
Data from ChEMBL 36 via Core Engine