Compound Detail
CHEMBL5171964
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Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CC(C)(C)O)c3)CC2)ccc1CN1CCN[C@@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL5171964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJSQLBBIUNNJAB-AGJHTDJMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
507.7
MW (Da)
4.70
ALogP
5
HBA
2
HBD
65.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| Motilin receptor CHEMBL2203 | EC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at rabbit GPR38 expressed in COS-7 cells | 35051575 |
| Motilin receptor | EC50 | = | 4.3 | nM | 8.37 | 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