Compound Detail
CHEMBL2376487
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Basic Information
| ChEMBL ID | CHEMBL2376487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHGFZMQEWPXOSG-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.76
ALogP
3
HBA
2
HBD
71.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | IC50 | = | 10.0 | nM | 8.0 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK cell membranes... | 23542166 |
| 5-hydroxytryptamine receptor 6 | EC50 | = | 32.0 | nM | 7.5 | Partial agonist activity at human 5HT6 receptor expressed in BHK cells assessed ... | 23542166 |
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | Displacement of [3H]-5-HT from calf 5HT1D receptor | 23542166 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 570.0 | nM | 6.24 | Displacement of [125I]-iodocyanopindolol from rat 5HT1B receptor | 23542166 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 890.0 | nM | 6.05 | Displacement of [3H]-8-OH-DPAT from rat 5HT1A receptor | 23542166 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [3H]-ketanserin from human 5HT2A receptor | 23542166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 6 | 3 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | Unchecked | 2 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | Sodium-dependent serotonin transporter | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 7 | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 4 | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 2C | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 2A | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 1B | 1 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine