Compound Detail
CHEMBL3600560
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Basic Information
| ChEMBL ID | CHEMBL3600560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXCPDPLWAQULQX-GSVOUGTGSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
157.1
MW (Da)
-0.54
ALogP
2
HBA
3
HBD
83.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.07
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | EC50 | 8.07 | 8.07 | 8.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | EC50 | = | 8.6 | nM | 8.07 | Agonist activity at human recombinant GABA-B receptor | 25856547 |
| Unchecked | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of [3H]GABA binding to GABA-B receptor in rat brain | 25856547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25856547 | 10.1021/jm5018913 | Unchecked | 2 |
| 25856547 | 10.1021/jm5018913 | GABA-B receptor | 2 |
Data from ChEMBL 36 via Core Engine