Compound Detail
CHEMBL35114
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Basic Information
| ChEMBL ID | CHEMBL35114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSGIEHICMIFPBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
3.03
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.48 | 6.48 | 333.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 333.0 | nM | 6.48 | In vitro binding affinity at human dopamine D4 receptor expressed in CHO cells b... | 9873377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873377 | 10.1016/s0960-894x(98)00252-2 | D(2) dopamine receptor | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | D(3) dopamine receptor | 1 |
| 9873377 | 10.1016/s0960-894x(98)00252-2 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine