Compound Detail
CHEMBL2057442
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Basic Information
| ChEMBL ID | CHEMBL2057442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDMHBTAXJFCYLV-SFHVURJKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.87
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.19 | 7.19 | 64.1 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | IC50 | 6.94 | 6.94 | 113.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 64.12 | nM | 7.19 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293... | 22748706 |
| D(1A) dopamine receptor | IC50 | = | 113.81 | nM | 6.94 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293... | 22748706 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 730.02 | nM | 6.14 | Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cel... | 22748706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22748706 | 10.1016/j.bmc.2012.05.057 | D(1A) dopamine receptor | 2 |
| 22748706 | 10.1016/j.bmc.2012.05.057 | 5-hydroxytryptamine receptor 2A | 1 |
| 22748706 | 10.1016/j.bmc.2012.05.057 | 5-hydroxytryptamine receptor 1A | 1 |
| 22748706 | 10.1016/j.bmc.2012.05.057 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine