Compound Detail
CHEMBL577073
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Basic Information
| ChEMBL ID | CHEMBL577073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYOHPRMTOCMZRK-IBGZPJMESA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
450.7
MW (Da)
3.67
ALogP
7
HBA
1
HBD
61.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.31
Ki 2 meas. best 8.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | EC50 | 9.31 | 9.31 | 0.5 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.58 | 8.58 | 2.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 7.11 | 7.11 | 77.2 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.96 | 6.96 | 109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | EC50 | = | 0.493 | nM | 9.31 | Agonist activity at human dopamine D3 receptor expressed in mouse AtT-20 cells a... | 20038106 |
| D(3) dopamine receptor | Ki | = | 2.61 | nM | 8.58 | Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK29... | 20038106 |
| D(2) dopamine receptor | EC50 | = | 77.2 | nM | 7.11 | Agonist activity at human dopamine D2L receptor expressed in CHO cells assessed ... | 20038106 |
| D(2) dopamine receptor | Ki | = | 109.0 | nM | 6.96 | Displacement of [3H]spiperone from human dopamine D2L receptor expressed in HEK2... | 20038106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20038106 | 10.1021/jm901184n | D(2) dopamine receptor | 3 |
| 20038106 | 10.1021/jm901184n | D(3) dopamine receptor | 3 |
| 20038106 | 10.1021/jm901184n | Unchecked | 2 |
| 20038106 | 10.1021/jm901184n | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine