Compound Detail
CHEMBL89719
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Basic Information
| ChEMBL ID | CHEMBL89719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICCKEQYPLWYEKK-INIZCTEOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
4.95
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 200.0 | nM | 6.7 | Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine ... | 8064797 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 250.0 | nM | 6.6 | Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine ... | 8064797 |
| D(4) dopamine receptor | Ki | = | 400.0 | nM | 6.4 | Affinity was evaluated as inhibition constant for dopamine D-4 receptor | 8064797 |
| D(2) dopamine receptor | Ki | = | 730.0 | nM | 6.14 | Affinity was evaluated as inhibition constant for dopamine D-2 receptor | 8064797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064797 | 10.1021/jm00043a008 | D(2) dopamine receptor | 1 |
| 8064797 | 10.1021/jm00043a008 | D(4) dopamine receptor | 1 |
| 8064797 | 10.1021/jm00043a008 | 5-hydroxytryptamine receptor 2A | 1 |
| 8064797 | 10.1021/jm00043a008 | 5-hydroxytryptamine receptor 2C | 1 |
| 8064797 | 10.1021/jm00043a008 | Dopamine receptors; D2 & D4 | 1 |
| 8064797 | 10.1021/jm00043a008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine