Compound Detail
CHEMBL299161
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Basic Information
| ChEMBL ID | CHEMBL299161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNVHTKVGILYCGH-YLJYHZDGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.77
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 6.19 | 6.19 | 651.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 53.0 | nM | 7.28 | Displacement of [3H]- -spiperone from Dopamine receptor D2 in rat striatum | 1971308 |
| D(1A) dopamine receptor | IC50 | = | 651.0 | nM | 6.19 | Displacement of [3H]- #NAME? from binding Dopamine receptor D1 in rat striatum | 1971308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1971308 | 10.1021/jm00168a034 | Unchecked | 2 |
| 8568818 | 10.1021/jm9502100 | D(1A) dopamine receptor | 2 |
| 7636869 | 10.1021/jm00016a009 | Adenylate cyclase type 5 | 2 |
| 1971308 | 10.1021/jm00168a034 | D(1A) dopamine receptor | 1 |
| 1971308 | 10.1021/jm00168a034 | D(2) dopamine receptor | 1 |
| 8568818 | 10.1021/jm9502100 | D(2) dopamine receptor | 1 |
| 8568818 | 10.1021/jm9502100 | Rattus norvegicus | 1 |
| 7636869 | 10.1021/jm00016a009 | D(1A) dopamine receptor | 1 |
| 7636869 | 10.1021/jm00016a009 | D(2) dopamine receptor | 1 |
| 7636869 | 10.1021/jm00016a009 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine