Compound Detail
CHEMBL2334893
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Basic Information
| ChEMBL ID | CHEMBL2334893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIEGYDLRUMZWQS-HNNXBMFYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.79
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.38
IC50 2 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.38 | 8.38 | 4.2 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.5 | 7.495 | 32.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 7.04 | 7.04 | 91.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 4.2 | nM | 8.38 | Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expresse... | 23332346 |
| D(1A) dopamine receptor | Ki | = | 4.2 | nM | 8.38 | Reception Binding Assay: Different concentrations (10^−5 M-10^−11 M) of the comp... | - |
| D(1A) dopamine receptor | IC50 | = | 8.19 | nM | 8.09 | Reception Binding Assay: Different concentrations (10^−5 M-10^−11 M) of the comp... | - |
| D(2) dopamine receptor | Ki | = | 32.0 | nM | 7.5 | Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) express... | 23332346 |
| D(2) dopamine receptor | Ki | = | 32.16 | nM | 7.49 | Reception Binding Assay: Different concentrations (10^−5 M-10^−11 M) of the comp... | - |
| D(2) dopamine receptor | IC50 | = | 91.11 | nM | 7.04 | Reception Binding Assay: Different concentrations (10^−5 M-10^−11 M) of the comp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23332346 | 10.1016/j.bmc.2012.12.016 | D(2) dopamine receptor | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | D(1A) dopamine receptor | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | 5-hydroxytryptamine receptor 1A | 2 |
| 23332346 | 10.1016/j.bmc.2012.12.016 | 5-hydroxytryptamine receptor 2A | 2 |
Data from ChEMBL 36 via Core Engine