Compound Detail
CHEMBL279729
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Basic Information
| ChEMBL ID | CHEMBL279729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHCLBNDBOQTPGQ-OAHLLOKOSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
365.9
MW (Da)
3.16
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 7.07 | 7.07 | 86.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.37 | 6.37 | 430.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.2 | 6.2 | 630.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 86.0 | nM | 7.07 | Binding affinity for 5-hydroxytryptamine 2 receptor from striata of male Wistar ... | 10743959 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 86.0 | nM | 7.07 | Compound was evaluated for its ability to displace [3H]ketanserin from serotoner... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 430.0 | nM | 6.37 | Displacement of [3H]8-OH-DPAT from rat striata 5-hydroxytryptamine 1A receptor | 10743959 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 430.0 | nM | 6.37 | Compound was evaluated for its ability to displace [3H]8-OH-DPAT from serotonerg... | - |
| D(2) dopamine receptor | Ki | = | 630.0 | nM | 6.2 | Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone | 10743959 |
| D(2) dopamine receptor | Ki | = | 630.0 | nM | 6.2 | Compound was evaluated for its ability to displace [3H]spiperone from D2 dopamin... | - |
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