Compound Detail
CHEMBL5395361
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COCCOc1ncc(C(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)cn1
Basic Information
| ChEMBL ID | CHEMBL5395361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWGVTRZKRCWPFG-HWKANZROSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
1.82
ALogP
8
HBA
0
HBD
103.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 183 CHEMBL3259470 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 183 | IC50 | = | 66.0 | nM | 7.18 | 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