Compound Detail
CHEMBL338278
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)(C1CCCC1)N1C(=O)C(NC(=O)Nc2cccc(C3N=NN=N3)c2)C(=O)N(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL338278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCOZEWFFDLYMSE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
564.6
MW (Da)
6.69
ALogP
7
HBA
2
HBD
131.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 7.33 | 7.33 | 46.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 1.514 | nM | 8.82 | In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type B rece... | 11020274 |
| Cholecystokinin receptor type A | Ki | = | 46.77 | nM | 7.33 | In vitro inhibition of binding of [3H]pCCK-8 against Cholecystokinin type A rece... | 11020274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020274 | 10.1021/jm990967h | Cholecystokinin receptor type A | 1 |
| 11020274 | 10.1021/jm990967h | Gastrin/cholecystokinin type B receptor | 1 |
| 11020274 | 10.1021/jm990967h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine