Compound Detail
CHEMBL158330
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COc1cc(/C=N/NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL158330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQGINDWJDGDQGD-MZJWZYIUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
4.78
ALogP
8
HBA
2
HBD
132.5
PSA (Ų)
0.24
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibitory activity against human glucagon receptor using [127I]-labele... | 11844695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844695 | 10.1016/s0960-894x(01)00819-8 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine