Compound Detail
CHEMBL2376490
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Basic Information
| ChEMBL ID | CHEMBL2376490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOCWMSJTFCACEQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.58
ALogP
2
HBA
2
HBD
27.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | IC50 | = | 12.0 | nM | 7.92 | Displacement of [125I]-iodocyanopindolol from rat 5HT1B receptor | 23542166 |
| Unchecked | IC50 | = | 33.0 | nM | 7.48 | Displacement of [3H]-5-HT from calf 5HT1D receptor | 23542166 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 690.0 | nM | 6.16 | Displacement of [3H]LSD from human 5HT7 receptor | 23542166 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 700.0 | nM | 6.16 | Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK cell membranes... | 23542166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 23542166 | 10.1016/j.ejmech.2013.03.006 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine