Compound Detail
CHEMBL176974
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Basic Information
| ChEMBL ID | CHEMBL176974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIGCPSYTABFABO-NTCAYCPXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.70
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Transient receptor potential cation channel subfamily M member 2 CHEMBL1250402 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.47 | 5.47 | 3417.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 830.0 | nM | 6.08 | In vitro binding affinity towards LTB4 receptor determined by measuring the disp... | - |
| Transient receptor potential cation channel subfamily M member 2 | IC50 | = | 2560.0 | nM | 5.59 | Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR... | 33784097 |
| Homo sapiens | IC50 | = | 3417.0 | nM | 5.47 | In vitro inhibition of LTB4 induced neutrophil aggregation was determined | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33784097 | 10.1021/acs.jmedchem.0c02129 | Transient receptor potential cation channel subfamily M member 2 | 2 |
| - | 10.1016/S0960-894X(97)00134-0 | Leukotriene B4 receptor 1 | 1 |
| - | 10.1016/S0960-894X(97)00134-0 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine