Compound Detail
CHEMBL5836561
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Basic Information
| ChEMBL ID | CHEMBL5836561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBPGPLDCCFSKES-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
4.62
ALogP
5
HBA
2
HBD
61.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 beta CHEMBL1909490 | IC50 | 7.64 | 7.64 | 22.7 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 beta | IC50 | = | 22.7 | nM | 7.64 | IL-1 Secretion Assa: Monocytic THP-1 cells (ATCC: TIB-202) were maintained accor... | - |
| Tumor necrosis factor | IC50 | = | 32000.0 | nM | 4.5 | TNF-alpha Secretion Assay: Monocytic THP-1 cells were maintained according to pr... | - |
Data from ChEMBL 36 via Core Engine