Compound Detail
CHEMBL58146
QUINOLIN-4-AMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL58146 |
| Name | QUINOLIN-4-AMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQYRLEXKXQRZDH-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
144.2
MW (Da)
1.82
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.29
Kd 1 meas. best 3.12
Ki 1 meas. best 2.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.29 | 4.29 | 50700.0 | 1 |
| Neutrophil cytosol factor 1 CHEMBL1613743 | Kd | 3.12 | 3.12 | 765000.0 | 1 |
| Neutrophil cytosol factor 1 CHEMBL1613743 | Ki | 2.82 | 2.82 | 1520000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 50700.0 | nM | 4.29 | Inhibition of acetylcholinesterase activity in rat cerebral cortex homogenate, i... | 10514292 |
| Neutrophil cytosol factor 1 | Kd | = | 765000.0 | nM | 3.12 | Binding affinity to immobilized recombinant human His-tagged p47phox SH3A-B doma... | 31922756 |
| Neutrophil cytosol factor 1 | Ki | = | 1520000.0 | nM | 2.82 | Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 t... | 31922756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514292 | 10.1021/jm990224w | Acetylcholinesterase | 2 |
| 31922756 | 10.1021/acs.jmedchem.9b01492 | Neutrophil cytosol factor 1 | 2 |
| 2502633 | 10.1021/jm00128a041 | ADMET | 1 |
| 10649984 | 10.1021/jm990437l | Ferriprotoporphyrin IX | 1 |
| 10649984 | 10.1021/jm990437l | Histidine-rich protein PFHRP-II | 1 |
| 10649984 | 10.1021/jm990437l | Plasmodium falciparum | 1 |
| 19188070 | 10.1016/j.bmc.2009.01.013 | Mycobacterium tuberculosis | 1 |
| 21126022 | 10.1021/jm1010572 | Pteridine reductase 1 | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Unchecked | 1 |
| 23669191 | 10.1016/j.bmc.2013.04.040 | Ferriprotoporphyrin IX | 1 |
| 33629841 | 10.1021/acs.jmedchem.0c01779 | Nuclear receptor subfamily 4 group A member 2 | 1 |
| 38283226 | 10.1039/d3md00483j | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine