Compound Detail
CHEMBL5192530
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
Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CC(=O)NC(C)C)c3)CC2)ccc1CN1CCN[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL5192530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNZQIZYYDGBZSR-MIUCGUHXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
534.8
MW (Da)
4.46
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 9.59 | 9.59 | 0.3 | 1 |
| Motilin receptor CHEMBL2203 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 0.26 | nM | 9.59 | Agonist activity at rabbit GPR38 expressed in COS-7 cells | 35051575 |
| Motilin receptor | EC50 | = | 1.6 | nM | 8.8 | Agonist activity at human GPR38 expressed in COS-7 cells | 35051575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35051575 | 10.1016/j.bmcl.2022.128554 | Motilin receptor | 1 |
| 35051575 | 10.1016/j.bmcl.2022.128554 | Unchecked | 1 |
| 35051575 | 10.1016/j.bmcl.2022.128554 | Cytochrome P450 3A4 | 1 |
| 35051575 | 10.1016/j.bmcl.2022.128554 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine