Compound Detail
CHEMBL169362
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
CN1C(=O)[C@H](NC(=O)Nc2cccc(Nc3nn[nH]n3)c2)N=C(c2ccccc2)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL169362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXTIUUVICVMNIF-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
2.90
ALogP
7
HBA
4
HBD
140.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 5.7 | nM | 8.24 | Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type B receptor in gui... | 8632408 |
| Cholecystokinin receptor type A | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of [125 I]BH CCK-8S binding to Cholecystokinin type A receptor in pan... | 8632408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632408 | 10.1021/jm9506736 | No relevant target | 2 |
| 8632408 | 10.1021/jm9506736 | Cholecystokinin receptor type A | 1 |
| 8632408 | 10.1021/jm9506736 | Gastrin/cholecystokinin type B receptor | 1 |
| 8632408 | 10.1021/jm9506736 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine