Compound Detail
CHEMBL5400459
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O=C(/C=C/c1ccc2c(c1)OC(F)(F)O2)N1CCN(C(=O)c2cnc3[nH]ncc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5400459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLWQVIQNNAKUAL-DUXPYHPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
2.28
ALogP
6
HBA
1
HBD
100.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 183 CHEMBL3259470 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 183 | IC50 | = | 70.0 | nM | 7.16 | Antagonist activity at human GPR183 expressed in CHO-K1 cells co-expressing Gqi5... | 38047891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38047891 | 10.1021/acs.jmedchem.3c01364 | G-protein coupled receptor 183 | 1 |
Data from ChEMBL 36 via Core Engine