Compound Detail
CHEMBL493233
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CC(C)(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)NCCC(=O)O)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL493233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKENBIHIHWFSFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
569.8
MW (Da)
7.95
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 6.5 | 6.5 | 315.0 | 1 |
| Gastric inhibitory polypeptide receptor CHEMBL4383 | IC50 | 6.14 | 6.14 | 729.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 315.0 | nM | 6.5 | Displacement of [125I]porcine glucagon from human recombinant glucagon receptor ... | 19385613 |
| Gastric inhibitory polypeptide receptor | IC50 | = | 729.0 | nM | 6.14 | Displacement of [125I]porcine GIP from human recombinant GIPR receptor expressed... | 19385613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19385613 | 10.1021/jm8016249 | Unchecked | 2 |
| 19385613 | 10.1021/jm8016249 | Glucagon receptor | 1 |
| 19385613 | 10.1021/jm8016249 | Gastric inhibitory polypeptide receptor | 1 |
Data from ChEMBL 36 via Core Engine