Compound Detail
CHEMBL298551
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
O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2F)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL298551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTIUNJKXSTZBDT-PFSRLBQRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
681.7
MW (Da)
5.02
ALogP
6
HBA
6
HBD
190.6
PSA (Ų)
0.13
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.59 | 5.59 | 2570.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 4.467 | nM | 8.35 | In vitro inhibitory activity against Cholecystokinin type B receptor using [125I... | 8627604 |
| Cholecystokinin receptor type A | Ki | = | 2570.4 | nM | 5.59 | In vitro inhibitory activity against Cholecystokinin type A receptor using [125I... | 8627604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627604 | 10.1021/jm9508907 | Gastrin/cholecystokinin type B receptor | 1 |
| 8627604 | 10.1021/jm9508907 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine