Compound Detail
CHEMBL173521
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Basic Information
| ChEMBL ID | CHEMBL173521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCPDWSOZIOUXRV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
1.15
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.27 | 4.27 | 53300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 53300.0 | nM | 4.27 | Antagonist activity at Gloeobacter violaceus ligand-gated ion channel expressed ... | 23682762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6747995 | 10.1021/jm00374a006 | ADMET | 6 |
| 23682762 | 10.1021/jm400374q | Unchecked | 2 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 2 |
| 23682762 | 10.1021/jm400374q | No relevant target | 1 |
| 458816 | 10.1021/jm00192a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine