Compound Detail
CHEMBL400548
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@@H](NC(=O)C[C@@H]1CCCN1C(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC12CC3CC(CC(C3)C1)C2)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL400548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFBVJALNMQILKP-YKSTXUAISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
623.8
MW (Da)
4.81
ALogP
4
HBA
3
HBD
115.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 4.6 | 4.6 | 25118.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | Ki | = | 25118.86 | nM | 4.6 | Displacement of [125I]BH-CCK-8S from CC1 receptor expressed in guinea pig pancre... | 18201065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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