Compound Detail
CHEMBL5174405
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Basic Information
| ChEMBL ID | CHEMBL5174405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FARMNDXIOAHJMF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.31
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.13
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL1798 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| G-protein coupled bile acid receptor 1 CHEMBL5409 | EC50 | 5.13 | 5.13 | 7400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 48.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 19.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.8 | hr | Homo sapiens |
| T1/2 | 1.983 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | IC50 | = | 1200.0 | nM | 5.92 | Antagonist activity against human CysLT1 expressed in CHO cells assessed as inhi... | 34767347 |
| G-protein coupled bile acid receptor 1 | EC50 | = | 7400.0 | nM | 5.13 | Agonist activity against human GPBAR1 expressed in HEK293T cells assessed as tra... | 34767347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34767347 | 10.1021/acs.jmedchem.1c01078 | ADMET | 4 |
| 34767347 | 10.1021/acs.jmedchem.1c01078 | RAW264.7 | 4 |
| 34767347 | 10.1021/acs.jmedchem.1c01078 | U-937 | 3 |
| 34767347 | 10.1021/acs.jmedchem.1c01078 | No relevant target | 2 |
| 34767347 | 10.1021/acs.jmedchem.1c01078 | Cysteinyl leukotriene receptor 1 | 2 |
| 34767347 | 10.1021/acs.jmedchem.1c01078 | G-protein coupled bile acid receptor 1 | 2 |
| 34767347 | 10.1021/acs.jmedchem.1c01078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine