Compound Detail
CHEMBL270426
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Basic Information
| ChEMBL ID | CHEMBL270426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGNGRDRWDHJJJI-OAHLLOKOSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.15
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.63 | 6.63 | 235.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.63 | 6.63 | 235.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.59 | 6.59 | 258.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.2 | nM | 9.7 | Selectivity ratio of Ki for dopamine D1 receptor to Ki for dopamine D2 receptor ... | 19058967 |
| D(1A) dopamine receptor | Ki | = | 46.0 | nM | 7.34 | Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat striatum | 18251489 |
| D(1A) dopamine receptor | Ki | = | 46.0 | nM | 7.34 | Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells... | 20041669 |
| D(2) dopamine receptor | Ki | = | 235.0 | nM | 6.63 | Displacement of [3H]neomonapride from dopamine D2 receptor in rat striatum | 18251489 |
| D(2) dopamine receptor | Ki | = | 235.0 | nM | 6.63 | Displacement of [3H]spiperone from dopamine D2 receptor expressed in HEK293 cell... | 20041669 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 258.0 | nM | 6.59 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells by liqu... | 20041669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18251489 | 10.1021/jm701045j | D(1A) dopamine receptor | 1 |
| 18251489 | 10.1021/jm701045j | D(2) dopamine receptor | 1 |
| 18251489 | 10.1021/jm701045j | Unchecked | 1 |
| 19058967 | 10.1016/j.bmcl.2008.11.025 | Unchecked | 1 |
| 20041669 | 10.1021/jm9015763 | 5-hydroxytryptamine receptor 1A | 1 |
| 20041669 | 10.1021/jm9015763 | D(1A) dopamine receptor | 1 |
| 20041669 | 10.1021/jm9015763 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine