Compound Detail
CHEMBL420986
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL420986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJDDOYGAHXQMEQ-CQSZACIVSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
2.75
ALogP
4
HBA
3
HBD
70.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 10.15 | 9.235 | 0.1 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.07 | nM | 10.15 | Affinity of compound for D2 receptor in rat striatal membrane determined for ago... | 11814775 |
| D(3) dopamine receptor | Ki | = | 0.4 | nM | 9.4 | Affinity for the Human Dopamine receptor D3 was determined using membranes from ... | 11814775 |
| D(2) dopamine receptor | Ki | = | 3.0 | nM | 8.52 | Affinity for the Dopamine receptor D2S was determined using membranes from CHO c... | 11814775 |
| D(2) dopamine receptor | Ki | = | 4.81 | nM | 8.32 | Affinity of compound for Dopamine receptor D2 in rat striatal membrane determine... | 11814775 |
| D(4) dopamine receptor | Ki | = | 7.0 | nM | 8.15 | Affinity for the Human Dopamine receptor D4 was determined using membranes from ... | 11814775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11814775 | 10.1016/s0960-894x(01)00778-8 | D(2) dopamine receptor | 4 |
| 11814775 | 10.1016/s0960-894x(01)00778-8 | D(3) dopamine receptor | 1 |
| 11814775 | 10.1016/s0960-894x(01)00778-8 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine