Compound Detail
CHEMBL5192584
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CCOCc1cccc(N[C@H]2CC[C@H](C(=O)N(C)c3ccc(CN4CCN[C@@H](C)C4)c(C)c3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL5192584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCXQUICNSDSXOG-RMDSEJHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
492.7
MW (Da)
4.96
ALogP
5
HBA
2
HBD
56.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Motilin receptor CHEMBL2203 | EC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Motilin receptor | EC50 | = | 2.6 | nM | 8.59 | 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