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Compound Detail

CHEMBL275098

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O=C(O)c1cnc2ccccc2c1

Basic Information

ChEMBL ID CHEMBL275098
Phase Preclinical
Structure Type MOL
InChI Key DJXNJVFEFSWHLY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
1.93
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H7NO2
MW 173.17
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.93

Activity Summary

IC50 2 meas. best 4.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Maltase-glucoamylase
CHEMBL2074
IC50 4.2 4.2 63000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Maltase-glucoamylase IC50 = 63000.0 nM 4.2 Inhibition of alpha-glucosidase (unknown origin) 38508120

Literature References

PubMed DOI Target Context # Activities
109613 10.1021/jm00193a013 Rattus norvegicus 2
24499135 10.1021/jm401808n Staphylococcus aureus 2
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1
17154519 10.1021/jm060601m Histone acetyltransferase GCN5 1
24499135 10.1021/jm401808n Quinolone resistance protein NorA 1
26492576 10.1021/acs.jmedchem.5b01114 Glycogen phosphorylase, muscle form 1
30579791 10.1016/j.bmcl.2018.12.027 Human immunodeficiency virus type 1 reverse transcriptase 1
38508120 10.1016/j.ejmech.2024.116332 Maltase-glucoamylase 1

Data from ChEMBL 36 via Core Engine