Compound Detail
CHEMBL1203924
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Basic Information
| ChEMBL ID | CHEMBL1203924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJVMZJUGBIGJRB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL216945 |
| Active Moiety | CHEMBL216945 |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.22
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.68
Ki 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 6.48 | 6.48 | 330.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 21.0 | nM | 7.68 | Activity at human dopamine D4.4 receptor expressed in HEK293 cells assessed as i... | 17154515 |
| D(1A) dopamine receptor | Ki | = | 330.0 | nM | 6.48 | Displacement of [3H]SCH-23390 from dopamine D1-like receptor in porcine striata ... | 17154515 |
| D(2) dopamine receptor | Ki | = | 340.0 | nM | 6.47 | Displacement of [3H]spiperone from dopamine D2-like receptor in porcine striata ... | 17154515 |
| D(1A) dopamine receptor | EC50 | = | 1100.0 | nM | 5.96 | Activity at human dopamine D1 receptor expressed in HEK293 cells assessed as sti... | 17154515 |
| D(2) dopamine receptor | EC50 | = | 1600.0 | nM | 5.8 | Activity at rat dopamine D2L receptor expressed in HEK293 cells assessed as inhi... | 17154515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154515 | 10.1021/jm0604979 | D(1A) dopamine receptor | 3 |
| 17154515 | 10.1021/jm0604979 | D(2) dopamine receptor | 3 |
| 17154515 | 10.1021/jm0604979 | D(4) dopamine receptor | 3 |
Data from ChEMBL 36 via Core Engine