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Compound Detail

CHEMBL99932

8-AMINOQUINOLINE
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Nc1cccc2cccnc12

Basic Information

ChEMBL ID CHEMBL99932
Name 8-AMINOQUINOLINE
Phase Preclinical
Structure Type MOL
InChI Key WREVVZMUNPAPOV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

144.2
MW (Da)
1.82
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N2
MW 144.18
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 4.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fructose-bisphosphate aldolase
CHEMBL1287620
IC50 4.1 4.1 79000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fructose-bisphosphate aldolase IC50 = 79000.0 nM 4.1 Enzymatic Assay: Enzymatic activity is measured by contacting the enzyme with a ... -

Literature References

PubMed DOI Target Context # Activities
17482318 10.1016/j.ejmech.2007.02.022 No relevant target 2
31922756 10.1021/acs.jmedchem.9b01492 Neutrophil cytosol factor 1 2
10649984 10.1021/jm990437l Ferriprotoporphyrin IX 1
10649984 10.1021/jm990437l Histidine-rich protein PFHRP-II 1
10649984 10.1021/jm990437l Plasmodium falciparum 1
21189019 10.1021/jm101266s 72 kDa type IV collagenase 1
21189019 10.1021/jm101266s Lethal factor 1
21189019 10.1021/jm101266s Stromelysin-1 1
21189019 10.1021/jm101266s Tyrosinase 1
21189019 10.1021/jm101266s Interstitial collagenase 1
21189019 10.1021/jm101266s Neutrophil collagenase 1
21189019 10.1021/jm101266s Matrix metalloproteinase-9 1
28191850 10.1021/acs.jmedchem.6b01379 26S proteasome non-ATPase regulatory subunit 14 1
36105338 10.1021/acsmedchemlett.2c00256 Glutaminyl-peptide cyclotransferase 1

Data from ChEMBL 36 via Core Engine