Compound Detail
CHEMBL240774
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Basic Information
| ChEMBL ID | CHEMBL240774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEAGRPUHJMFFQR-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.24
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.45 | 7.45 | 35.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.22 | 6.97 | 60.0 | 2 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 7.1 | 7.1 | 80.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.67 | 6.67 | 216.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 35.8 | nM | 7.45 | Displacement of [3H]spiperone from human Dopamine D3 receptor expressed in CHO c... | 17576067 |
| D(2) dopamine receptor | Ki | = | 60.0 | nM | 7.22 | Antagonist activity at human Dopamine receptor D2 isoform long expressed in HEK2... | 17576067 |
| D(1B) dopamine receptor | Ki | = | 80.0 | nM | 7.1 | Displacement of [3H]SCH 23390 from human Dopamine D5 receptor expressed in HEK29... | 17576067 |
| D(2) dopamine receptor | Ki | = | 189.0 | nM | 6.72 | Displacement of [3H]Spiperone from human Dopamine receptor D2 isoform long expre... | 17576067 |
| Unchecked | Ki | = | 216.0 | nM | 6.67 | Displacement of [3H]spiperone from human Dopamine D4.4 receptor expressed in CHO... | 17576067 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 360.0 | nM | 6.44 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 19326916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(2) dopamine receptor | 4 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(1B) dopamine receptor | 4 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | D(3) dopamine receptor | 2 |
| 17576067 | 10.1016/j.bmc.2007.06.002 | Unchecked | 2 |
| 19326916 | 10.1021/jm8014553 | 5-hydroxytryptamine receptor 7 | 1 |
| 19326916 | 10.1021/jm8014553 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine