Compound Detail
CHEMBL105204
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL105204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZVZZQMOBNGKQR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
4.25
ALogP
4
HBA
1
HBD
46.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.39 | 8.39 | 4.1 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.7 | 7.7 | 19.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.08 | 7.08 | 83.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.15 | nM | 9.82 | Affinity for RB Serotonin transporter was determined in vitro by incubating comp... | 11814784 |
| Adrenergic receptor alpha-1 | Ki | = | 4.1 | nM | 8.39 | In vitro binding affinity towards Alpha-1 adrenergic receptor was determined by ... | 11814784 |
| Sodium-dependent serotonin transporter | Ki | = | 19.8 | nM | 7.7 | Affinity for HC Serotonin transporter determined in vitro by incubating compound... | 11814784 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 83.6 | nM | 7.08 | In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the d... | 11814784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814784 | 10.1016/s0960-894x(01)00746-6 | 5-hydroxytryptamine receptor 1A | 5 |
| 11814784 | 10.1016/s0960-894x(01)00746-6 | Sodium-dependent serotonin transporter | 2 |
| 11814784 | 10.1016/s0960-894x(01)00746-6 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine