Compound Detail
CHEMBL482276
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Basic Information
| ChEMBL ID | CHEMBL482276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMUGDOOOAXACRK-LJQANCHMSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.54
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.94 | 6.94 | 116.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.82 | 6.82 | 151.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.72 | 6.72 | 192.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.83 | 5.83 | 1480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 8.0 | nM | 8.1 | Selectivity ratio of Ki for dopamine D1 receptor to Ki for dopamine D2 receptor ... | 19058967 |
| D(1A) dopamine receptor | Ki | = | 116.0 | nM | 6.94 | Displacement of [3H]SCH-23390 from human dopamine D1 receptor expressed in HEK29... | 18562201 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 151.0 | nM | 6.82 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor expressed in CHO cells | 18562201 |
| D(2) dopamine receptor | Ki | = | 192.0 | nM | 6.72 | Displacement of [3H]nemonapride from dopamine D2 receptor in rat forebrain | 19058967 |
| D(1A) dopamine receptor | Ki | = | 1480.0 | nM | 5.83 | Displacement of [3H]SCH23390 from dopamine D1 receptor in rat forebrain | 19058967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18562201 | 10.1016/j.bmc.2008.05.077 | D(1A) dopamine receptor | 2 |
| 18562201 | 10.1016/j.bmc.2008.05.077 | 5-hydroxytryptamine receptor 1A | 2 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | Unchecked | 1 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | D(2) dopamine receptor | 1 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | D(1A) dopamine receptor | 1 |
| 18562201 | 10.1016/j.bmc.2008.05.077 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine