Compound Detail
CHEMBL1202516
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Cl.O=C1C2C3C=CC(C4CCC34)C2C(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL1202516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJGKYMRYVHNZMG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL29049 |
| Active Moiety | CHEMBL29049 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.05
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 57.0 | nM | 7.24 | In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor ... | 2898533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2898533 | 10.1021/jm00402a023 | D(2) dopamine receptor | 1 |
| 2898533 | 10.1021/jm00402a023 | 5-hydroxytryptamine receptor 1A | 1 |
| 2898533 | 10.1021/jm00402a023 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine