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Compound Detail

CHEMBL14926

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Nc1cc(CSc2ccccc2)c2nc(N)nc(O)c2c1

Basic Information

ChEMBL ID CHEMBL14926
Phase Preclinical
Structure Type MOL
InChI Key BFQQUBLIUNMFTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
2.79
ALogP
6
HBA
3
HBD
98.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4OS
MW 298.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.95

Activity Summary

Ki 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Queuine tRNA-ribosyltransferase
CHEMBL2987
Ki 7.0 7.0 100.0 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