Compound Detail
CHEMBL160396
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Basic Information
| ChEMBL ID | CHEMBL160396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYTNWERJAAXIPL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.9
MW (Da)
2.80
ALogP
5
HBA
1
HBD
44.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.32 | 5.32 | 4800.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.25 | 4.175 | 56000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 110.0 | nM | 6.96 | In vitro binding affinity at human cloned dopamine receptor D4 stably expressed ... | 11844688 |
| D(1A) dopamine receptor | Ki | = | 4800.0 | nM | 5.32 | In vitro binding affinity at human cloned dopamine receptor D1 stably expressed ... | 11844688 |
| D(2) dopamine receptor | Ki | = | 56000.0 | nM | 4.25 | In vitro binding affinity at human cloned dopamine receptor D2 (long) stably exp... | 11844688 |
| D(2) dopamine receptor | Ki | = | 79000.0 | nM | 4.1 | In vitro binding affinity at human cloned dopamine receptor D2 (short) stably ex... | 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