Compound Detail
CHEMBL4526012
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Basic Information
| ChEMBL ID | CHEMBL4526012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGEGVUWXHYDOQM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.1
MW (Da)
3.33
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.61 | 6.61 | 245.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.91 | 5.91 | 1230.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.73 | 5.73 | 1862.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.03 | 5.03 | 9333.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HE... | 30904783 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 245.0 | nM | 6.61 | Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in HEK2... | 30904783 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1230.0 | nM | 5.91 | Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed ... | 30904783 |
| D(2) dopamine receptor | Ki | = | 1862.0 | nM | 5.73 | Displacement of [3H] raclopride from human recombinant D2L receptor expressed in... | 30904783 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 9333.0 | nM | 5.03 | Displacement of [3H] ketanserin from human recombinant 5-HT2A receptor expressed... | 30904783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 1A | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 2A | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 6 | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 7 | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine