Compound Detail
CHEMBL63590
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Basic Information
| ChEMBL ID | CHEMBL63590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLWWTPXFRQGJOE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
2.77
ALogP
5
HBA
1
HBD
43.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.99 | 6.99 | 103.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.53 | 6.53 | 297.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 6.28 | 6.28 | 523.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.95 | 5.95 | 1135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 103.0 | nM | 6.99 | In vitro binding affinity against rat 5-hydroxytryptamine 2 receptor. | 8101877 |
| D(2) dopamine receptor | Ki | = | 297.0 | nM | 6.53 | In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue. | 8101877 |
| Muscarinic acetylcholine receptor | Ki | = | 523.0 | nM | 6.28 | In vitro binding affinity against Muscarinic acetylcholine receptors in rat brai... | 8101877 |
| D(1A) dopamine receptor | Ki | = | 1135.0 | nM | 5.95 | In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue | 8101877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8101877 | 10.1021/jm00067a009 | D(2) dopamine receptor | 1 |
| 8101877 | 10.1021/jm00067a009 | D(1A) dopamine receptor | 1 |
| 8101877 | 10.1021/jm00067a009 | Serotonin 2 (5-HT2) receptor | 1 |
| 8101877 | 10.1021/jm00067a009 | Muscarinic acetylcholine receptor | 1 |
| 8101877 | 10.1021/jm00067a009 | Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor | 1 |
| 8101877 | 10.1021/jm00067a009 | Unchecked | 1 |
| 8101877 | 10.1021/jm00067a009 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine