Compound Detail
CHEMBL280879
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Basic Information
| ChEMBL ID | CHEMBL280879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHHMITAGSZTQGQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
1.16
ALogP
6
HBA
2
HBD
105.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.17 | 6.17 | 670.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 450.0 | nM | 6.35 | Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonerg... | - |
| D(2) dopamine receptor | Ki | = | 670.0 | nM | 6.17 | Compound was evaluated for its ability to displace [3H]spiperone from D2 dopamin... | - |
| Serotonin 2 (5-HT2) receptor | Ki | = | 3000.0 | nM | 5.52 | Compound was evaluated for its ability to displace [3H]ketanserin from serotoner... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00197-2 | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00197-2 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(95)00197-2 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine