Compound Detail
CHEMBL1203894
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Basic Information
| ChEMBL ID | CHEMBL1203894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIVPPZVHTNOLCK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL175097 |
| Active Moiety | CHEMBL175097 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
4.90
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 410.0 | nM | 6.39 | Inhibition of [3H]-raclopride binding at Dopamine receptor D2 in rat brain membr... | 10715162 |
| Adrenergic receptor alpha-1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of [3H]prazosin binding at alpha-1 adrenergic receptor in rat brain c... | 10715162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10715162 | 10.1021/jm990428c | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
| 10715162 | 10.1021/jm990428c | Adrenergic receptor alpha-1 | 1 |
| 10715162 | 10.1021/jm990428c | D(2) dopamine receptor | 1 |
| 10715162 | 10.1021/jm990428c | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine