Compound Detail
CHEMBL153716
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O=C(CCC(Oc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1)C1CCN(c2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL153716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKKSTBUHZHMYFV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
6.26
ALogP
5
HBA
0
HBD
72.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.26 | 7.26 | 55.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 55.1 | nM | 7.26 | Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]... | 14640559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640559 | 10.1021/jm0309349 | 5-hydroxytryptamine receptor 1A | 1 |
| 14640559 | 10.1021/jm0309349 | 5-hydroxytryptamine receptor 2A | 1 |
| 14640559 | 10.1021/jm0309349 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine