Compound Detail
CHEMBL93753
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 | CHEMBL93753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJDDOYGAHXQMEQ-AWEZNQCLSA-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 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.26 | 7.715 | 5.5 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.5 | 6.5 | 313.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5.45 | nM | 8.26 | Affinity of compound for D2 receptor in rat striatal membrane determined for ago... | 11814775 |
| D(2) dopamine receptor | Ki | = | 67.5 | nM | 7.17 | Affinity of compound for Dopamine receptor D2 in rat striatal membrane determine... | 11814775 |
| D(2) dopamine receptor | Ki | = | 67.0 | nM | 7.17 | Affinity for the Dopamine receptor D2S was determined using membranes from CHO c... | 11814775 |
| D(3) dopamine receptor | Ki | = | 81.0 | nM | 7.09 | Affinity for the Human Dopamine receptor D3 was determined using membranes from ... | 11814775 |
| D(4) dopamine receptor | Ki | = | 313.0 | nM | 6.5 | 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