Compound Detail
CHEMBL2371224
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@]1(Cc2c[nH]c3ccccc23)NC(=O)CC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2371224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJIIJPLWPTZNRP-MJQNYGCISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
675.7
MW (Da)
-0.07
ALogP
7
HBA
8
HBD
241.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.64 | 5.64 | 2293.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 40.0 | nM | 7.4 | Inhibition of [3H]pCCK-8 binding to Guinea pig cortex membrane Cholecystokinin t... | 9057851 |
| Cholecystokinin receptor type A | Ki | = | 2293.0 | nM | 5.64 | Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pi... | 9057851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9057851 | 10.1021/jm9603072 | Gastrin/cholecystokinin type B receptor | 1 |
| 9057851 | 10.1021/jm9603072 | Cholecystokinin receptor type A | 1 |
| 9057851 | 10.1021/jm9603072 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine