Compound Detail
CHEMBL26655
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Basic Information
| ChEMBL ID | CHEMBL26655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUENQRYBZHHPBN-UHFFFAOYSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
212.3
MW (Da)
2.89
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.17
EC50 1 meas. best 4.92
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.84 | 6.84 | 144.5 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 66.99 | nM | 7.17 | Binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin as... | 8258822 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 98.0 | nM | 7.01 | Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed i... | 15603958 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 145.88 | nM | 6.84 | Binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as ... | 8258822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 144.54 | nM | 6.84 | Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r... | 8568799 |
| Sodium-dependent serotonin transporter | IC50 | = | 690.0 | nM | 6.16 | Displacement of [3H]citalopram from human SERT expressed in HEK293 cells | 17391962 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response assay for agonists of 5-Hydroxytryptamine (Serot... | - |
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 |
| 15603958 | 10.1016/j.bmcl.2004.10.064 | 5-hydroxytryptamine receptor 6 | 1 |
| 17391962 | 10.1016/j.bmcl.2007.03.040 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine