Compound Detail
CHEMBL283899
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Basic Information
| ChEMBL ID | CHEMBL283899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNOKHIURIJOQKM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.76
ALogP
2
HBA
1
HBD
42.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.26
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.26 | 7.26 | 55.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.02 | 6.02 | 955.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 19.0 | nM | 7.72 | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells | 17391962 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 54.95 | nM | 7.26 | Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as ... | 8258822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 54.95 | nM | 7.26 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 954.99 | nM | 6.02 | Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as... | 8258822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258822 | 10.1021/jm00077a003 | 5-hydroxytryptamine receptor 1A | 1 |
| 8258822 | 10.1021/jm00077a003 | Serotonin 2 (5-HT2) receptor | 1 |
| 8568799 | 10.1021/jm950410b | 5-hydroxytryptamine receptor 1A | 1 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent serotonin transporter | 1 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent dopamine transporter | 1 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine