Compound Detail
CHEMBL156369
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Basic Information
| ChEMBL ID | CHEMBL156369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVQOIDZBAPLYGQ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.9
MW (Da)
3.62
ALogP
4
HBA
0
HBD
23.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.03 | 5.03 | 9400.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 4.92 | 4.905 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 50.0 | nM | 7.3 | In vitro binding affinity at human cloned dopamine receptor D4 stably expressed ... | 11844688 |
| D(1A) dopamine receptor | Ki | = | 7000.0 | nM | 5.16 | In vitro binding affinity at human cloned dopamine receptor D1 stably expressed ... | 11844688 |
| D(3) dopamine receptor | Ki | = | 9400.0 | nM | 5.03 | In vitro binding affinity at human cloned dopamine receptor D3 stably expressed ... | 11844688 |
| D(2) dopamine receptor | Ki | = | 12000.0 | nM | 4.92 | In vitro binding affinity at human cloned dopamine receptor D2 (short) stably ex... | 11844688 |
| D(2) dopamine receptor | Ki | = | 13000.0 | nM | 4.89 | 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 |
| 11312915 | 10.1021/jm001055e | D(4) dopamine receptor | 1 |
| 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