Compound Detail
CHEMBL301810
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(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL301810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPNLPEIHKTZDLG-OUQYOURXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
673.8
MW (Da)
6.16
ALogP
5
HBA
5
HBD
161.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 7.88 | 7.88 | 13.2 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 6.1 | 6.085 | 794.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 13.18 | nM | 7.88 | In vitro inhibitory activity against Cholecystokinin type B receptor using [125I... | 8627604 |
| Cholecystokinin receptor type A | Ki | = | 794.33 | nM | 6.1 | Displacement of [125I]BH-CCK-8S from CC1 receptor expressed in guinea pig pancre... | 18201065 |
| Cholecystokinin receptor type A | Ki | = | 851.14 | nM | 6.07 | In vitro inhibitory activity against Cholecystokinin type A receptor using [125I... | 8627604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627604 | 10.1021/jm9508907 | Gastrin/cholecystokinin type B receptor | 1 |
| 8627604 | 10.1021/jm9508907 | Cholecystokinin receptor type A | 1 |
| 18201065 | 10.1021/jm070880t | Gastrin/cholecystokinin type B receptor | 1 |
| 18201065 | 10.1021/jm070880t | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine