Compound Detail
CHEMBL4285964
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Basic Information
| ChEMBL ID | CHEMBL4285964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITSWPWUIGSLYHD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
2.01
ALogP
6
HBA
0
HBD
74.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycine receptor alpha-3/beta CHEMBL4106144 | EC50 | 5.92 | 5.92 | 1210.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2890.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycine receptor alpha-3/beta | EC50 | = | 1210.0 | nM | 5.92 | Positive allosteric modulation of human GlyRalpha3beta expressed in HEK293T cell... | 28575722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28575722 | 10.1016/j.ejmech.2017.05.036 | Glycine receptor alpha-3/beta | 2 |
| 28575722 | 10.1016/j.ejmech.2017.05.036 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine