Compound Detail
CHEMBL313851
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Basic Information
| ChEMBL ID | CHEMBL313851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFFIIIVILGKQSZ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.07
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.24 | 7.715 | 5.8 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.88 | 6.88 | 132.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.58 | 6.58 | 263.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 5.75 | nM | 8.24 | Affinity of compound for D2 receptor in rat striatal membrane determined for ago... | 11814775 |
| D(4) dopamine receptor | Ki | = | 37.0 | nM | 7.43 | Affinity for the Human Dopamine receptor D4 was determined using membranes from ... | 11814775 |
| D(2) dopamine receptor | Ki | = | 65.1 | nM | 7.19 | Affinity of compound for Dopamine receptor D2 in rat striatal membrane determine... | 11814775 |
| D(2) dopamine receptor | Ki | = | 132.0 | nM | 6.88 | Affinity for the Dopamine receptor D2S was determined using membranes from CHO c... | 11814775 |
| D(3) dopamine receptor | Ki | = | 263.0 | nM | 6.58 | Affinity for the Human Dopamine receptor D3 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 |
| 29400967 | 10.1021/acs.jmedchem.7b01788 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine