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Compound Detail

CHEMBL489495

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[N-]=[N+]=NCc1cc(=O)n(-c2ccccc2)s1

Basic Information

ChEMBL ID CHEMBL489495
Phase Preclinical
Structure Type MOL
InChI Key QTEUWDORXPSOTI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.71
ALogP
4
HBA
0
HBD
70.8
PSA (Ų)
0.46
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 C10H8N4OS
MW 232.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone acetyltransferase KAT2B
CHEMBL5500
IC50 4.24 4.24 58000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19101154 10.1016/j.bmc.2008.11.079 Histone acetyltransferase KAT2B 1

Data from ChEMBL 36 via Core Engine