Compound Detail
CHEMBL26135
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Basic Information
| ChEMBL ID | CHEMBL26135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWHFVXLGTWFJQQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
3.88
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.4 | nM | 8.47 | Binding affinity to the rat 5-hydroxytryptamine 1A receptor | 12570387 |
| Adrenergic receptor alpha-1 | Ki | = | 41.0 | nM | 7.39 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cerebral co... | - |
| D(4) dopamine receptor | Ki | = | 43.0 | nM | 7.37 | Displacement of [3H]YM-09151-2 from human Dopamine receptor D4.2 expressed in ba... | - |
| D(2) dopamine receptor | Ki | = | 56.0 | nM | 7.25 | Displacement of [3H]spiperone from Dopamine receptor D2 of rat corpora striata s... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 85.0 | nM | 7.07 | Binding affinity to the rat 5-hydroxytryptamine 7 receptor | 12570387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00218-7 | Unchecked | 2 |
| - | 10.1016/S0960-894X(97)00218-7 | D(4) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00218-7 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00218-7 | Adrenergic receptor alpha-1 | 1 |
| 12570387 | 10.1021/jm020994z | 5-hydroxytryptamine receptor 7 | 1 |
| 12570387 | 10.1021/jm020994z | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine