Compound Detail
CHEMBL506800
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O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1
Basic Information
| ChEMBL ID | CHEMBL506800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUZOYODGROMRMW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
4
Publications
0
Known Names
Molecular Properties
621.7
MW (Da)
8.21
ALogP
6
HBA
2
HBD
91.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Gastric inhibitory polypeptide receptor CHEMBL4383 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 34.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 75.6 | nM | Rattus norvegicus |
| F | 3.0 | % | Rattus norvegicus |
| T1/2 | 0.7167 | hr | Rattus norvegicus |
| Tmax | 1.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 36.0 | nM | 7.44 | Displacement of [125I]porcine glucagon from human recombinant glucagon receptor ... | 19385613 |
| Gastric inhibitory polypeptide receptor | IC50 | = | 207.0 | nM | 6.68 | 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 | 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