Compound Detail
CHEMBL158078
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(CC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N(C1CCCCC1)C1CCCCC1)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL158078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTDFHLSKIRCZAD-LJAQVGFWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.7
MW (Da)
6.28
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 200.0 | nM | 6.7 | Inhibition of binding of [125I]- CCK-33 to rat pancreas | 2299627 |
| Cholecystokinin receptor type A | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of binding of [125I]- CCK-33 to guinea pig cortex | 2299627 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of binding of [125I]gastrin to Cholecystokinin type B receptor from g... | 2299627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2299627 | 10.1021/jm00164a020 | Cholecystokinin receptor type A | 2 |
| 2299627 | 10.1021/jm00164a020 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine