Compound Detail
CHEMBL159138
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
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N/C(=C\c1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL159138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEEKFKGSYMOZGO-KFMRBMPRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
5.26
ALogP
4
HBA
4
HBD
120.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 54.0 | nM | 7.27 | Compound was tested for the inhibition of specific binding of [125I]bolton Hunte... | - |
| Cholecystokinin receptor type A | IC50 | = | 60.0 | nM | 7.22 | Compound was tested for the inhibition of specific binding of [125I]bolton Hunte... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81250-6 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(01)81250-6 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(01)81250-6 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine