Compound Detail
CHEMBL1910792
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
COc1ccc(NC(=O)c2ccc3c(c2)N(C)C(=O)CN3c2ccc(Cl)c(Cl)c2)cc1N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL1910792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXYWAUPKMQONSC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
554.5
MW (Da)
5.12
ALogP
6
HBA
1
HBD
68.4
PSA (Ų)
0.47
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.36 | 7.36 | 44.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 44.0 | nM | 7.36 | Displacement of [3H]GR125743 from recombinant human 5-HT1D receptor expressed in... | 21982496 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 120.0 | nM | 6.92 | Displacement of [3H]carboxytryptamine from recombinant human 5-HT1B receptor exp... | 21982496 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21982496 | 10.1016/j.bmcl.2011.09.046 | 5-hydroxytryptamine receptor 1B | 1 |
| 21982496 | 10.1016/j.bmcl.2011.09.046 | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine