Compound Detail
CHEMBL137726
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
COc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL137726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOARATSGTNKNBO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
3.65
ALogP
5
HBA
2
HBD
103.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.24 | nM | 9.62 | Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor | 8277510 |
| Cholecystokinin receptor type A | IC50 | = | 170.0 | nM | 6.77 | Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat p... | 8277510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277510 | 10.1021/jm00078a018 | Gastrin/cholecystokinin type B receptor | 1 |
| 8277510 | 10.1021/jm00078a018 | Cholecystokinin receptor type A | 1 |
| 8277510 | 10.1021/jm00078a018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine