Compound Detail
CHEMBL269396
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Basic Information
| ChEMBL ID | CHEMBL269396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AENACYRRZFSOSG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
323.9
MW (Da)
5.47
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1000.0 | nM | 6.0 | Affinity was evaluated as inhibition constant for dopamine D-4 receptor | 8064797 |
| D(2) dopamine receptor | Ki | = | 1400.0 | nM | 5.85 | Affinity was evaluated as inhibition constant for dopamine D-2 receptor | 8064797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064797 | 10.1021/jm00043a008 | Unchecked | 2 |
| 7288815 | 10.1021/jm00141a001 | Muscarinic acetylcholine receptor | 1 |
| 7288815 | 10.1021/jm00141a001 | Unchecked | 1 |
| 7288815 | 10.1021/jm00141a001 | Dopamine receptor | 1 |
| 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 | Serotonin 3 (5-HT3) receptor | 1 |
| 8064797 | 10.1021/jm00043a008 | Dopamine receptors; D2 & D4 | 1 |
Data from ChEMBL 36 via Core Engine