Compound Detail
CHEMBL346805
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Basic Information
| ChEMBL ID | CHEMBL346805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQJZAUBSLUYDAA-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.8
MW (Da)
3.12
ALogP
5
HBA
0
HBD
40.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.04 | 5.03 | 9200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 2.6 | nM | 8.59 | In vitro binding affinity at human cloned dopamine receptor D4 stably expressed ... | 11844688 |
| D(1A) dopamine receptor | Ki | = | 1200.0 | nM | 5.92 | In vitro binding affinity at human cloned dopamine receptor D1 stably expressed ... | 11844688 |
| D(3) dopamine receptor | Ki | = | 5900.0 | nM | 5.23 | In vitro binding affinity at human cloned dopamine receptor D3 stably expressed ... | 11844688 |
| D(2) dopamine receptor | Ki | = | 9200.0 | nM | 5.04 | In vitro binding affinity at human cloned dopamine receptor D2 (short) stably ex... | 11844688 |
| D(2) dopamine receptor | Ki | = | 9500.0 | nM | 5.02 | In vitro binding affinity at human cloned dopamine receptor D2 (long) stably exp... | 11844688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844688 | 10.1016/s0960-894x(01)00814-9 | D(2) dopamine receptor | 2 |
| 11844688 | 10.1016/s0960-894x(01)00814-9 | D(1A) dopamine receptor | 1 |
| 11844688 | 10.1016/s0960-894x(01)00814-9 | D(3) dopamine receptor | 1 |
| 11844688 | 10.1016/s0960-894x(01)00814-9 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine