Compound Detail
CHEMBL330274
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Basic Information
| ChEMBL ID | CHEMBL330274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTGAJCKRXPNBFI-HNNXBMFYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.63
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.42
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.42 | 7.42 | 38.0 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| Tyrosine 3-monooxygenase CHEMBL1969 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.87 | 5.87 | 1345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 38.0 | nM | 7.42 | Compound was evaluated for its ability to inhibit dopamine receptor D2 in rat st... | 1671415 |
| Dopamine receptor | Ki | = | 370.0 | nM | 6.43 | Compound was evaluated for its ability to inhibit Striatal Dopamine Receptor in ... | 1671415 |
| Tyrosine 3-monooxygenase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of tyrosine hydroxylase | 17228858 |
| D(1A) dopamine receptor | Ki | = | 1345.0 | nM | 5.87 | Compound was evaluated for its ability to inhibit dopamine receptor D1 in rat st... | 1671415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632409 | 10.1021/jm950447w | D(1A) dopamine receptor | 2 |
| 1671415 | 10.1021/jm00105a005 | Dopamine receptor | 1 |
| 1671415 | 10.1021/jm00105a005 | D(1A) dopamine receptor | 1 |
| 1671415 | 10.1021/jm00105a005 | D(2) dopamine receptor | 1 |
| 1671415 | 10.1021/jm00105a005 | Dopamine D1 and D2 receptor | 1 |
| 17228858 | 10.1021/jm060959i | Unchecked | 1 |
| 17228858 | 10.1021/jm060959i | Tyrosine 3-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine