Compound Detail
CHEMBL14681
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Basic Information
| ChEMBL ID | CHEMBL14681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOJPKNKPAIBESJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
5.66
ALogP
5
HBA
0
HBD
47.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.66 | 6.66 | 221.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | IC50 | = | 20.0 | nM | 7.7 | Affinity for 5-hydroxytryptamine 2 receptor binding sites by its ability to disp... | 7707315 |
| D(2) dopamine receptor | IC50 | = | 221.0 | nM | 6.66 | Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]s... | 7707315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707315 | 10.1021/jm00007a009 | Mus musculus | 1 |
| 7707315 | 10.1021/jm00007a009 | Rattus norvegicus | 1 |
| 7707315 | 10.1021/jm00007a009 | D(2) dopamine receptor | 1 |
| 7707315 | 10.1021/jm00007a009 | Serotonin 2 (5-HT2) receptor | 1 |
| 7707315 | 10.1021/jm00007a009 | Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine