Compound Detail
CHEMBL3741548
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CC(C)c1nc(C(=O)NC[C@@H]2[C@H]3CN(CC(C)(C)CO)C[C@@H]23)c2ccccn12
Basic Information
| ChEMBL ID | CHEMBL3741548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNKSFAKJANXYSA-OSYLJGHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.38
ALogP
5
HBA
2
HBD
69.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 8.24 | 8.24 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | EC50 | = | 5.7 | nM | 8.24 | Agonist activity at human 5HT4e receptor expressed in CHO cells assessed as cAMP... | 26363507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26363507 | 10.1016/j.ejmech.2015.08.051 | 5-hydroxytryptamine receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine