Compound Detail
CHEMBL239603
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL239603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISXKOYQKBFARFC-UHFFFAOYSA-N |
3
Targets
11
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
496.1
MW (Da)
5.87
ALogP
6
HBA
1
HBD
71.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.8
IC50 5 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL2337 | Ki | 7.8 | 7.8 | 15.9 | 1 |
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL2337 | IC50 | 7.62 | 7.5325 | 24.0 | 4 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 6.69 | 6.602 | 206.0 | 5 |
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3060 | IC50 | 6.5 | 6.5 | 319.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17257843 | 10.1016/j.bmcl.2006.12.109 | Sodium- and chloride-dependent glycine transporter 1 | 5 |
| 17257843 | 10.1016/j.bmcl.2006.12.109 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 5 |
| 17257843 | 10.1016/j.bmcl.2006.12.109 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
| 17257843 | 10.1016/j.bmcl.2006.12.109 | 5-hydroxytryptamine receptor 1B | 1 |
| 17257843 | 10.1016/j.bmcl.2006.12.109 | Cytochrome P450 2D6 | 1 |
| 17257843 | 10.1016/j.bmcl.2006.12.109 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine