Compound Detail
CHEMBL4074669
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Basic Information
| ChEMBL ID | CHEMBL4074669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASYRWYXXPRLTPR-FNNGWQQSSA-N |
| Parent Compound | CHEMBL4064974 |
| Active Moiety | CHEMBL4064974 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.01
ALogP
6
HBA
1
HBD
62.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.51 | 9.51 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.31 | nM | 9.51 | Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membr... | 28495386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28495386 | 10.1016/j.bmc.2017.04.036 | ADMET | 7 |
| 28495386 | 10.1016/j.bmc.2017.04.036 | D(3) dopamine receptor | 5 |
| 28495386 | 10.1016/j.bmc.2017.04.036 | Unchecked | 3 |
| 28495386 | 10.1016/j.bmc.2017.04.036 | Brain | 1 |
Data from ChEMBL 36 via Core Engine