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Compound Detail

CHEMBL14882

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Nc1ccc2c(=O)[nH][nH]c(=O)c2c1

Basic Information

ChEMBL ID CHEMBL14882
Phase Preclinical
Structure Type MOL
InChI Key HUDPLKWXRLNSPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
-0.20
ALogP
3
HBA
3
HBD
91.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H7N3O2
MW 177.16
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.27

Activity Summary

Ki 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Queuine tRNA-ribosyltransferase
CHEMBL2987
Ki 5.08 5.08 8300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12646024 10.1021/jm0209937 Queuine tRNA-ribosyltransferase 1

Data from ChEMBL 36 via Core Engine