Compound Detail
CHEMBL5590998
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Basic Information
| ChEMBL ID | CHEMBL5590998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZLLFHHGSORGMB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
2.12
ALogP
7
HBA
0
HBD
73.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Excitatory amino acid transporter 1 CHEMBL3085 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Excitatory amino acid transporter 2 CHEMBL4973 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Excitatory amino acid transporter 1 | EC50 | = | 4.0 | nM | 8.4 | Positive allosteric modulation of EAAT1 (unknown origin) transfected in African ... | 38626917 |
| Excitatory amino acid transporter 2 | EC50 | = | 6.0 | nM | 8.22 | Positive allosteric modulation of EAAT2 (unknown origin) transfected in African ... | 38626917 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 7300.0 | nM | 5.14 | Binding affinity to human ERG expressed in T-REx-293 cells incubated for 2 to 6 ... | 38626917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38626917 | 10.1021/acs.jmedchem.3c01909 | Excitatory amino acid transporter 1 | 1 |
| 38626917 | 10.1021/acs.jmedchem.3c01909 | Excitatory amino acid transporter 2 | 1 |
| 38626917 | 10.1021/acs.jmedchem.3c01909 | No relevant target | 1 |
| 38626917 | 10.1021/acs.jmedchem.3c01909 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine