Compound Detail
CHEMBL28607
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Basic Information
| ChEMBL ID | CHEMBL28607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNGCXJPRHBHODU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.89
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| D(4) dopamine receptor CHEMBL3361 | Ki | 8.44 | 8.44 | 3.6 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1.3 | nM | 8.89 | Ability to displace [3H]spiperone from cloned human dopamine D4 receptor stably ... | 10098669 |
| D(4) dopamine receptor | Ki | = | 3.6 | nM | 8.44 | In vitro binding affinity to rat Dopamine receptor D4 measured by displacement o... | 11378358 |
| D(3) dopamine receptor | Ki | = | 3900.0 | nM | 5.41 | Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably... | 10098669 |
Literature References
Data from ChEMBL 36 via Core Engine