Compound Detail
CHEMBL177620
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Basic Information
| ChEMBL ID | CHEMBL177620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLCDZDPSIMQWPV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.57
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 19.0 | nM | 7.72 | Inhibitory activity against Xenopus oocytes expressing rat N-Methyl-D-aspartate ... | 10715162 |
| Adrenergic receptor alpha-1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of [3H]prazosin binding at alpha-1 adrenergic receptor in rat brain c... | 10715162 |
| D(2) dopamine receptor | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of [3H]-raclopride binding at Dopamine receptor D2 in rat brain membr... | 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