Compound Detail
CHEMBL26677
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Basic Information
| ChEMBL ID | CHEMBL26677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGXUWJSIDSMGFX-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.49
ALogP
5
HBA
0
HBD
42.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.11
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 6.96 | 6.96 | 109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.78 | nM | 9.11 | Binding affinity to the rat 5-hydroxytryptamine 1A receptor | 12570387 |
| D(4) dopamine receptor | Ki | = | 1.7 | nM | 8.77 | Displacement of [3H]YM-09151-2 from human Dopamine receptor D4.2 expressed in ba... | - |
| D(2) dopamine receptor | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]spiperone from Dopamine receptor D2 of rat corpora striata s... | - |
| D(4) dopamine receptor | IC50 | = | 3.1 | nM | 8.51 | In vitro binding affinity at human cloned Dopamine receptor D4.2 by [3H]YM-09151... | 9822559 |
| D(2) dopamine receptor | IC50 | = | 13.0 | nM | 7.89 | In vitro binding affinity at human cloned Dopamine receptor D2 by [3H]spiroperid... | 9822559 |
| Adrenergic receptor alpha-1 | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor of rat cerebral co... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 109.0 | nM | 6.96 | 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 |
| 9822559 | 10.1021/jm981041x | D(4) dopamine receptor | 1 |
| 9822559 | 10.1021/jm981041x | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine