Compound Detail
CHEMBL200953
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
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)N2C1=O
Basic Information
| ChEMBL ID | CHEMBL200953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPMPSXPQCRVCLR-AUURQCAXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
717.8
MW (Da)
3.68
ALogP
6
HBA
6
HBD
191.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.09 | 6.09 | 817.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 817.0 | nM | 6.09 | Displacement of [3H]propionylCCK8 from rat pancreatic CCK1 | 16302807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302807 | 10.1021/jm050689o | Cholecystokinin receptor type A | 1 |
| 16302807 | 10.1021/jm050689o | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine