Compound Detail
CHEMBL503958
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Basic Information
| ChEMBL ID | CHEMBL503958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INNWVRBZMBCEJI-PFEQFJNWSA-N |
| Parent Compound | CHEMBL24077 |
| Active Moiety | CHEMBL24077 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.38
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293... | 18835172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835172 | 10.1016/j.bmc.2008.09.049 | D(1A) dopamine receptor | 1 |
| 18835172 | 10.1016/j.bmc.2008.09.049 | D(2) dopamine receptor | 1 |
| 18835172 | 10.1016/j.bmc.2008.09.049 | 5-hydroxytryptamine receptor 1A | 1 |
| 18835172 | 10.1016/j.bmc.2008.09.049 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine