Compound Detail
CHEMBL5278277
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CC(C)n1nc(-c2noc(C3CCN(CC4CCOCC4)CC3)n2)c2ccccc21.O=C(O)C(O)C(O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5278277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJUAVMMBEQQODS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5316010 |
| Active Moiety | CHEMBL5316010 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.27
ALogP
7
HBA
0
HBD
69.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 CHEMBL1875 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 4 | EC50 | = | 19.9 | nM | 7.7 | Partial agonist activity at human 5HT4E receptor expressed in CHO cells assessed... | 34251799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34251799 | 10.1021/acs.jmedchem.1c00703 | 5-hydroxytryptamine receptor 4 | 2 |
| 34251799 | 10.1021/acs.jmedchem.1c00703 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine