Compound Detail
CHEMBL331177
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
COC(=O)CNC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)NCC1C2CC3CC(C2)CC1C3
Basic Information
| ChEMBL ID | CHEMBL331177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSPQXZXFFGUMGF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
3.99
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 5.81 | 5.81 | 1548.8 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 1548.82 | nM | 5.81 | Tested for its receptor affinity from competition with 20 pM [125I]BH-CCK-8S for... | 7966125 |
| Cholecystokinin receptor type A | Ki | = | 19952.62 | nM | 4.7 | Tested for its receptor affinity from competition with 20 pM [125I]BH-CCK-8S for... | 7966125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966125 | 10.1021/jm00048a001 | Rattus norvegicus | 1 |
| 7966125 | 10.1021/jm00048a001 | Gastrin/cholecystokinin type B receptor | 1 |
| 7966125 | 10.1021/jm00048a001 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine