Compound Detail
CHEMBL317675
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)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CC(=O)O)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL317675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGOLWKTUHWHYJS-LDQVXNJOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
5.22
ALogP
4
HBA
4
HBD
120.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 8.03 | 8.03 | 9.3 | 2 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.73 | 6.73 | 186.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 9.3 | nM | 8.03 | Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin ty... | 7684452 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 9.3 | nM | 8.03 | In vitro inhibition of [125I]- Bolton Hunter CCK-8 binding to Cholecystokinin ty... | - |
| Cholecystokinin receptor type A | IC50 | = | 186.0 | nM | 6.73 | Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin ty... | 7684452 |
| Cholecystokinin receptor type A | IC50 | = | 186.0 | nM | 6.73 | In vitro inhibition of [125I]- Bolton Hunter CCK-8 to Cholecystokinin type A rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7684452 | 10.1021/jm00057a005 | Cholecystokinin receptor type A | 1 |
| 7684452 | 10.1021/jm00057a005 | Gastrin/cholecystokinin type B receptor | 1 |
| 7684452 | 10.1021/jm00057a005 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)80769-1 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(01)80769-1 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(01)80769-1 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine