Compound Detail
CHEMBL129997
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Basic Information
| ChEMBL ID | CHEMBL129997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWISWHUWIQAPMO-CILPGNKCSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.0
MW (Da)
5.60
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.58
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.2 | 7.75 | 6.3 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.5 | 6.2 | 316.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 6.31 | nM | 8.2 | Binding affinity against human Dopamine receptor D3 in Chinese hamster ovary cel... | - |
| D(3) dopamine receptor | Ki | = | 50.12 | nM | 7.3 | Binding affinity against human Dopamine receptor D3 in Chinese hamster ovary cel... | - |
| D(2) dopamine receptor | Ki | = | 316.23 | nM | 6.5 | Binding affinity against human Dopamine receptor D2 in mouse LtK- cells using [3... | - |
| D(2) dopamine receptor | Ki | = | 1258.93 | nM | 5.9 | Binding affinity against human Dopamine receptor D2 in mouse LtK- cells using [3... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00043-1 | D(3) dopamine receptor | 2 |
| - | 10.1016/0960-894X(96)00043-1 | D(2) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine