Compound Detail
CHEMBL4870374
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Basic Information
| ChEMBL ID | CHEMBL4870374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPEQZSDWFQRQIF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.14
ALogP
6
HBA
1
HBD
67.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.12 | 6.12 | 760.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.67 | 5.67 | 2156.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.38 | 5.38 | 4139.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.33 | 5.33 | 4631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cell membr... | 34467765 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 760.0 | nM | 6.12 | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cel... | 34467765 |
| D(2) dopamine receptor | Ki | = | 2156.0 | nM | 5.67 | Displacement of [3H]-haloperidol from human D2L receptor expressed in HEK293 cel... | 34467765 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 4139.0 | nM | 5.38 | Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cell memb... | 34467765 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 4631.0 | nM | 5.33 | Displacement of [3H]-ketanserin from human 5HT2A receptor expressed in CHO-K1 ce... | 34467765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 3A | 3 |
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 6 | 3 |
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 1A | 1 |
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 2A | 1 |
| 34467765 | 10.1021/acs.jmedchem.1c00224 | D(2) dopamine receptor | 1 |
| 34467765 | 10.1021/acs.jmedchem.1c00224 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine