Compound Detail
CHEMBL3714917
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Basic Information
| ChEMBL ID | CHEMBL3714917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNFSDWFPQICEMS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
2.69
ALogP
7
HBA
0
HBD
71.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 84 CHEMBL3714079 | IC50 | 11.0 | 9.15 | 0.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 531.67 | mL.min-1.kg-1 | Mus musculus |
| CL | 76.67 | mL.min-1.kg-1 | Homo sapiens |
| CL | 375.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 90.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 615.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 84 | IC50 | = | 0.01 | nM | 11.0 | Antagonist activity against GPR84 (unknown origin) expressed in cell membranes a... | - |
| G-protein coupled receptor 84 | IC50 | = | 50.0 | nM | 7.3 | Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T c... | 32902984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32902984 | 10.1021/acs.jmedchem.0c00272 | ADMET | 8 |
| 32902984 | 10.1021/acs.jmedchem.0c00272 | G-protein coupled receptor 84 | 1 |
Data from ChEMBL 36 via Core Engine