Compound Detail
CHEMBL427555
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Basic Information
| ChEMBL ID | CHEMBL427555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIYMLKKXWWZEQT-FQEVSTJZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
4.43
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.04 | 6.04 | 920.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.35 | 5.35 | 4460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]spiperone from cloned human dopamine D4.2 receptor in HEK298... | 16168646 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 22.0 | nM | 7.66 | Displacement of [3H]ketanserin from cloned human 5HT2A receptor in HEK298 cells | 16168646 |
| Adrenergic receptor alpha-1 | Ki | = | 920.0 | nM | 6.04 | Displacement of 7-methoxy-[3H]prazosin from adrenergic alpha-1 receptor in rat f... | 16168646 |
| D(2) dopamine receptor | Ki | = | 4460.0 | nM | 5.35 | Displacement of [3H]spiperone from human dopamine D2(short) receptor in rat pitu... | 16168646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16168646 | 10.1016/j.bmcl.2005.08.051 | D(4) dopamine receptor | 1 |
| 16168646 | 10.1016/j.bmcl.2005.08.051 | 5-hydroxytryptamine receptor 2A | 1 |
| 16168646 | 10.1016/j.bmcl.2005.08.051 | D(2) dopamine receptor | 1 |
| 16168646 | 10.1016/j.bmcl.2005.08.051 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine