Compound Detail
CHEMBL61080
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Basic Information
| ChEMBL ID | CHEMBL61080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YATPAHDOUJPRNV-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
386.3
MW (Da)
5.76
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.21 | 7.21 | 61.0 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.62 | 6.62 | 240.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.09 | 6.09 | 820.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 61.0 | nM | 7.21 | Binding affinity towards human dopamine receptor D4 | 11170639 |
| D(4) dopamine receptor | Ki | = | 61.0 | nM | 7.21 | Displacement of [3H]spiperone from human Dopamine receptor D4 expressed in HEK29... | 8642551 |
| D(4) dopamine receptor | Ki | = | 61.0 | nM | 7.21 | Ability to displace [3H]spiperone from human dopamine receptor D4 (hD4) receptor... | 9240352 |
| D(2) dopamine receptor | Ki | = | 240.0 | nM | 6.62 | Displacement of [3H]spiperone from human Dopamine receptor D2 expressed in CHO c... | 8642551 |
| D(2) dopamine receptor | Ki | = | 240.0 | nM | 6.62 | Ability to displace [3H]spiperone from human dopamine receptor D2 stably express... | 9240352 |
| D(3) dopamine receptor | Ki | = | 820.0 | nM | 6.09 | Displacement of [3H]spiperone from human Dopamine receptor D3 expressed in CHO c... | 8642551 |
| D(3) dopamine receptor | Ki | = | 820.0 | nM | 6.09 | Ability to displace [3H]spiperone from human dopamine receptor D3 (hD3) receptor... | 9240352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11170639 | 10.1021/jm0002432 | D(4) dopamine receptor | 1 |
| 8642551 | 10.1021/jm960072u | D(2) dopamine receptor | 1 |
| 8642551 | 10.1021/jm960072u | D(3) dopamine receptor | 1 |
| 8642551 | 10.1021/jm960072u | D(4) dopamine receptor | 1 |
| 9240352 | 10.1021/jm970111h | D(2) dopamine receptor | 1 |
| 9240352 | 10.1021/jm970111h | D(3) dopamine receptor | 1 |
| 9240352 | 10.1021/jm970111h | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine