Compound Detail
CHEMBL37170
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Basic Information
| ChEMBL ID | CHEMBL37170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQEPZBNLBWDIRZ-NRFANRHFSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
3.30
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.11 | 8.11 | 7.8 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL3446 | Ki | 7.84 | 7.84 | 14.6 | 1 |
| Alpha-2A adrenergic receptor CHEMBL327 | Ki | 6.46 | 6.46 | 343.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL3737 | Ki | 6.0 | 6.0 | 991.0 | 1 |
| Adenosine receptor A2b CHEMBL2592 | Ki | 5.77 | 5.77 | 1708.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.23 | 5.23 | 5882.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 7.8 | nM | 8.11 | In vitro binding affinity at human dopamine D4 receptor expressed in CHO cells b... | 9873377 |
| D(4) dopamine receptor | Ki | = | 7.8 | nM | 8.11 | Binding affinity towards human dopamine receptor D4 | 11170639 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 14.6 | nM | 7.84 | In vivo binding affinity was evaluated against 5-hydroxytryptamine 2 receptor | 9873377 |
| Alpha-2A adrenergic receptor | Ki | = | 343.0 | nM | 6.46 | In vivo binding affinity was evaluated against Alpha-1 adrenergic receptor | 9873377 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 991.0 | nM | 6.0 | In vivo binding affinity was evaluated against 5-hydroxytryptamine 1A receptor | 9873377 |
| Adenosine receptor A2b | Ki | = | 1708.0 | nM | 5.77 | In vivo binding affinity was evaluated against Alpha-2 adrenergic receptor | 9873377 |
| D(2) dopamine receptor | Ki | = | 5882.0 | nM | 5.23 | Displacement of [3H]spiperone from human Dopamine receptor D2 expressed in CHO c... | 9873377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873377 | 10.1016/s0960-894x(98)00252-2 | D(2) dopamine receptor | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | D(4) dopamine receptor | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | Alpha-2A adrenergic receptor | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | Adenosine receptor A2b | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | 5-hydroxytryptamine receptor 1A | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | 5-hydroxytryptamine receptor 2A | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | Rattus norvegicus | 1 |
| 11170639 | 10.1021/jm0002432 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine