Compound Detail
CHEMBL505954
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O=C(Nc1ccc2[nH]cc(C3CCN(CCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL505954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZZMVKASPNMPKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
714.9
MW (Da)
8.88
ALogP
4
HBA
4
HBD
96.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 79.0 | nM | 7.1 | Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor express... | 18507369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18507369 | 10.1021/jm7011722 | 5-hydroxytryptamine receptor 1D | 1 |
| 18507369 | 10.1021/jm7011722 | Unchecked | 1 |
| 18507369 | 10.1021/jm7011722 | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine