Compound Detail
CHEMBL62996
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Basic Information
| ChEMBL ID | CHEMBL62996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXGOETNYBNUSSO-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
4.13
ALogP
5
HBA
1
HBD
52.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.24 | 6.24 | 580.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.36 | 5.27 | 4400.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.12 | 5.12 | 7600.0 | 1 |
| D(1A) dopamine receptor CHEMBL2967 | Ki | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 580.0 | nM | 6.24 | In vitro displacement of [3H]spiperone from the recombinant human dopamine recep... | 10987445 |
| D(2) dopamine receptor | Ki | = | 4400.0 | nM | 5.36 | In vitro displacement of [3H]spiperone from the recombinant human dopamine recep... | 10987445 |
| D(2) dopamine receptor | Ki | = | 6650.0 | nM | 5.18 | In vitro displacement of [3H]spiperone from the recombinant human dopamine recep... | 10987445 |
| D(3) dopamine receptor | Ki | = | 7600.0 | nM | 5.12 | In vitro displacement of [3H]spiperone from the cloned human dopamine receptor D... | 10987445 |
| D(1A) dopamine receptor | Ki | = | 17500.0 | nM | 4.76 | In vitro displacement of [3H]- SCH 23390 from the dopamine receptor D1 of bovine... | 10987445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10987445 | 10.1016/s0960-894x(00)00405-4 | D(2) dopamine receptor | 2 |
| 10987445 | 10.1016/s0960-894x(00)00405-4 | D(1A) dopamine receptor | 1 |
| 10987445 | 10.1016/s0960-894x(00)00405-4 | D(3) dopamine receptor | 1 |
| 10987445 | 10.1016/s0960-894x(00)00405-4 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine