Compound Detail
CHEMBL3770639
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Basic Information
| ChEMBL ID | CHEMBL3770639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZDLIFJGLFMOCS-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
1.65
ALogP
6
HBA
2
HBD
99.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.85
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.5 | 6.5 | 319.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | IC50 | 6.46 | 6.46 | 343.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.03 | 6.03 | 931.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells | 26900658 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 319.0 | nM | 6.5 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 ce... | 26900658 |
| 5-hydroxytryptamine receptor 7 | IC50 | = | 343.0 | nM | 6.46 | Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed a... | 26900658 |
| D(2) dopamine receptor | Ki | = | 931.0 | nM | 6.03 | Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HE... | 26900658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26900658 | 10.1016/j.ejmech.2016.02.024 | 5-hydroxytryptamine receptor 7 | 3 |
| 26900658 | 10.1016/j.ejmech.2016.02.024 | Unchecked | 2 |
| 26900658 | 10.1016/j.ejmech.2016.02.024 | 5-hydroxytryptamine receptor 1A | 1 |
| 26900658 | 10.1016/j.ejmech.2016.02.024 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine