Compound Detail
CHEMBL2334885
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Basic Information
| ChEMBL ID | CHEMBL2334885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMCZTYDZHNTKPR-INIZCTEOSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.07
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.37 | 7.37 | 42.4 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.7 | 6.605 | 199.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.58 | 6.58 | 262.0 | 1 |
| D(1B) dopamine receptor CHEMBL1850 | Ki | 6.5 | 6.5 | 313.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 42.4 | nM | 7.37 | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor after 1 hr | 28214075 |
| D(1A) dopamine receptor | Ki | = | 199.0 | nM | 6.7 | Displacement of [3H]SCH23390 from human dopamine D1 receptor after 1 hr | 28214075 |
| D(3) dopamine receptor | Ki | = | 262.0 | nM | 6.58 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor after 1 hr | 28214075 |
| D(1A) dopamine receptor | Ki | = | 310.0 | nM | 6.51 | Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expresse... | 23332346 |
| D(1B) dopamine receptor | Ki | = | 313.0 | nM | 6.5 | Displacement of [3H]SCH23390 from human dopamine D5 receptor after 1 hr | 28214075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23332346 | 10.1016/j.bmc.2012.12.016 | D(1A) dopamine receptor | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | 5-hydroxytryptamine receptor 1A | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | 5-hydroxytryptamine receptor 2A | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | D(2) dopamine receptor | 2 |
| 28214075 | 10.1016/j.bmcl.2017.01.090 | D(4) dopamine receptor | 1 |
| 28214075 | 10.1016/j.bmcl.2017.01.090 | D(3) dopamine receptor | 1 |
| 28214075 | 10.1016/j.bmcl.2017.01.090 | D(2) dopamine receptor | 1 |
| 28214075 | 10.1016/j.bmcl.2017.01.090 | D(1A) dopamine receptor | 1 |
| 28214075 | 10.1016/j.bmcl.2017.01.090 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine