Compound Detail
CHEMBL281363
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Basic Information
| ChEMBL ID | CHEMBL281363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIGNSANQGXWXBU-IBGZPJMESA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
3.61
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.0 | 8.0 | 10.0 | 2 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.55 | 6.55 | 280.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor | 10743959 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 10.0 | nM | 8.0 | Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A rece... | - |
| Serotonin 2 (5-HT2) receptor | Ki | = | 280.0 | nM | 6.55 | Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar ... | 10743959 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 280.0 | nM | 6.55 | Ability to displace [3H]ketanserin from serotonergic 5-hydroxytryptamine 2 recep... | - |
| D(2) dopamine receptor | Ki | = | 800.0 | nM | 6.1 | Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone | 10743959 |
| D(2) dopamine receptor | Ki | = | 800.0 | nM | 6.1 | Ability to displace [3H]spiperone from D2 dopamine receptor isolated from the st... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743959 | 10.1016/s0960-894x(00)00030-5 | 5-hydroxytryptamine receptor 1A | 1 |
| 10743959 | 10.1016/s0960-894x(00)00030-5 | D(2) dopamine receptor | 1 |
| 10743959 | 10.1016/s0960-894x(00)00030-5 | Serotonin 2 (5-HT2) receptor | 1 |
| - | 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