Compound Detail
CHEMBL4161308
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Basic Information
| ChEMBL ID | CHEMBL4161308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQJMIPYHRMQITD-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
3.67
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.7
IC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 7.25 | 7.25 | 56.4 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.16 | 6.16 | 694.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.64 | 5.64 | 2277.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.53 | 5.53 | 2941.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.15 | 5.15 | 7139.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]-LSD from human 5HT6R expressed in HEK293 cell membranes aft... | 29291439 |
| 5-hydroxytryptamine receptor 6 | IC50 | = | 56.4 | nM | 7.25 | Antagonist activity at 5HT6R (unknown origin) transfected in NG108-15 cells co-t... | 29291439 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 694.0 | nM | 6.16 | Displacement of [3H]-Ketanserin from human 5HT2AR expressed in CHO-K1 cell membr... | 29291439 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2277.0 | nM | 5.64 | Displacement of [3H]-8-OH-DPAT from human 5HT1AR expressed in HEK293 cell membra... | 29291439 |
| D(2) dopamine receptor | Ki | = | 2941.0 | nM | 5.53 | Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HE... | 29291439 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 7139.0 | nM | 5.15 | Displacement of [3H]-5-CT from human 5HT7BR expressed in HEK293 cell membranes a... | 29291439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29291439 | 10.1016/j.ejmech.2017.12.053 | 5-hydroxytryptamine receptor 6 | 2 |
| 29291439 | 10.1016/j.ejmech.2017.12.053 | 5-hydroxytryptamine receptor 1A | 1 |
| 29291439 | 10.1016/j.ejmech.2017.12.053 | 5-hydroxytryptamine receptor 2A | 1 |
| 29291439 | 10.1016/j.ejmech.2017.12.053 | 5-hydroxytryptamine receptor 7 | 1 |
| 29291439 | 10.1016/j.ejmech.2017.12.053 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine