Compound Detail
CHEMBL2024675
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Basic Information
| ChEMBL ID | CHEMBL2024675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOFQSWIVLXQEOJ-SAABIXHNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
4.34
ALogP
3
HBA
1
HBD
38.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 9.18 | 9.18 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.09 | 8.09 | 8.2 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.46 | 7.46 | 34.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.66 | nM | 9.18 | Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expresse... | 22537450 |
| D(2) dopamine receptor | Ki | = | 8.2 | nM | 8.09 | Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membrane... | 22537450 |
| Adrenergic receptor alpha-1 | Ki | = | 34.9 | nM | 7.46 | Displacement of [3H]-prazosin from adrenergic alpha-1 receptor in rat cerebral c... | 22537450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22537450 | 10.1016/j.bmcl.2012.03.104 | D(3) dopamine receptor | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | D(2) dopamine receptor | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | Dopamine receptor D2 and D3 | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | Adrenergic receptor alpha-1 | 1 |
| 22537450 | 10.1016/j.bmcl.2012.03.104 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine