Compound Detail
CHEMBL413964
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COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1
Basic Information
| ChEMBL ID | CHEMBL413964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKUMRKCHDDZWQQ-IBBHUPRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
4.63
ALogP
6
HBA
3
HBD
123.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.8 | 7.8 | 15.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 15.7 | nM | 7.8 | In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK ... | 12477359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477359 | 10.1021/jm0208572 | Glucagon receptor | 1 |
| 12477359 | 10.1021/jm0208572 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine