Compound Detail
CHEMBL491920
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O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1
Basic Information
| ChEMBL ID | CHEMBL491920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYFXPJIUHYQWRX-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
559.0
MW (Da)
7.06
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.42 | 7.22 | 38.0 | 2 |
| Gastric inhibitory polypeptide receptor CHEMBL4383 | IC50 | 6.68 | 6.55 | 211.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 209.3 | nM | Rattus norvegicus |
| F | 52.0 | % | Rattus norvegicus |
| T1/2 | 0.4 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 38.0 | nM | 7.42 | Binding affinity to human recombinant glucagon receptor expressed in BHK cells b... | 19385613 |
| Glucagon receptor | IC50 | = | 96.0 | nM | 7.02 | Displacement of [125I]porcine glucagon from human recombinant glucagon receptor ... | 19385613 |
| Gastric inhibitory polypeptide receptor | IC50 | = | 211.0 | nM | 6.68 | Binding affinity to human recombinant GIPR expressed in BHK cells by membrane fi... | 19385613 |
| Gastric inhibitory polypeptide receptor | IC50 | = | 381.0 | nM | 6.42 | Displacement of [125I]porcine GIP from human recombinant GIPR receptor expressed... | 19385613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19385613 | 10.1021/jm8016249 | Rattus norvegicus | 5 |
| 19385613 | 10.1021/jm8016249 | Glucagon receptor | 2 |
| 19385613 | 10.1021/jm8016249 | Gastric inhibitory polypeptide receptor | 2 |
| 19385613 | 10.1021/jm8016249 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine