Compound Detail
CHEMBL181469
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Basic Information
| ChEMBL ID | CHEMBL181469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXCVDBZASONCNP-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.66
ALogP
4
HBA
1
HBD
39.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.83 | 7.83 | 14.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 6.2 | nM | 8.21 | In vitro binding affinity against recombinant human dopamine receptor D2L in hum... | 15686911 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 14.7 | nM | 7.83 | In vitro binding affinity against recombinant human 5-hydroxytryptamine 2A recep... | 15686911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686911 | 10.1016/j.bmcl.2004.12.028 | D(2) dopamine receptor | 1 |
| 15686911 | 10.1016/j.bmcl.2004.12.028 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine