Compound Detail
CHEMBL262894
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
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@@H](N)Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL262894 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CJFQPYCJUAHRBQ-BSRABYNYSA-M |
| Parent Compound | CHEMBL1206334 |
| Active Moiety | CHEMBL1206334 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
992.1
MW (Da)
0.59
ALogP
12
HBA
11
HBD
360.4
PSA (Ų)
0.03
QED
3
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 10.22 | 10.22 | 0.1 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 0.06 | nM | 10.22 | Tested for the inhibition of [3H]pCCK-8 to Cholecystokinin type B receptor in gu... | - |
| Cholecystokinin receptor type A | Ki | = | 62.0 | nM | 7.21 | Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type A recept... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80678-2 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80678-2 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(00)80678-2 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine