Compound Detail
CHEMBL1173153
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Basic Information
| ChEMBL ID | CHEMBL1173153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFQYZMGOKIROEC-DUXPYHPUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.51
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 28800.0 | nM | 4.54 | Antagonist activity at Gloeobacter violaceus ligand-gated ion channel expressed ... | 23682762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25847765 | 10.1016/j.ejmech.2015.03.056 | Unchecked | 3 |
| 25847765 | 10.1016/j.ejmech.2015.03.056 | Hepatitis B virus | 3 |
| 22963087 | 10.1021/jm3009844 | RAW264.7 | 2 |
| 33476933 | 10.1016/j.ejmech.2020.113148 | Transitional endoplasmic reticulum ATPase | 2 |
| 27676157 | 10.1021/acs.jmedchem.6b00461 | NON-PROTEIN TARGET | 2 |
| 23682762 | 10.1021/jm400374q | Unchecked | 2 |
| - | 10.1039/C3MD00251A | Unchecked | 1 |
| 33476933 | 10.1016/j.ejmech.2020.113148 | Unchecked | 1 |
| 25847765 | 10.1016/j.ejmech.2015.03.056 | HepG2 2.2.15 | 1 |
| - | 10.1039/C3MD00251A | Mycobacterium tuberculosis | 1 |
| - | 10.1039/C3MD00251A | Mycobacterium tuberculosis variant bovis BCG | 1 |
| - | 10.1039/C3MD00251A | RAW264.7 | 1 |
| 20565070 | 10.1021/np1000945 | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C3MD00251A | Mycolicibacterium smegmatis | 1 |
| 23682762 | 10.1021/jm400374q | No relevant target | 1 |
| 22963087 | 10.1021/jm3009844 | Neuraminidase | 1 |
| 22963087 | 10.1021/jm3009844 | Influenza A virus | 1 |
| 22963087 | 10.1021/jm3009844 | MDCK | 1 |
| 21167710 | 10.1016/j.bmcl.2010.11.091 | Hydroxycarboxylic acid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine