Compound Detail
CHEMBL556269
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Basic Information
| ChEMBL ID | CHEMBL556269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMYBAZWTOQSPCY-DEOSSOPVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
3.90
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.91
Ki 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 8.91 | 8.91 | 1.2 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.38 | 7.38 | 41.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.8 | 6.8 | 157.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | EC50 | = | 1.23 | nM | 8.91 | Activity at human dopamine D3 receptor expressed in AtT cells assessed as stimul... | 19427222 |
| D(3) dopamine receptor | Ki | = | 2.27 | nM | 8.64 | Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in HEK293 ... | 19427222 |
| D(2) dopamine receptor | EC50 | = | 41.2 | nM | 7.38 | Activity at human dopamine D2L receptor expressed in CHO cells assessed as stimu... | 19427222 |
| D(2) dopamine receptor | Ki | = | 157.0 | nM | 6.8 | Displacement of [3H]spiperone from rat dopamine D2L receptor expressed in HEK293... | 19427222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19427222 | 10.1016/j.bmc.2009.04.031 | D(2) dopamine receptor | 3 |
| 19427222 | 10.1016/j.bmc.2009.04.031 | D(3) dopamine receptor | 3 |
| 19427222 | 10.1016/j.bmc.2009.04.031 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine