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Compound Detail

CHEMBL3110248

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Cc1ncc(C(N)=S)[nH]1

Basic Information

ChEMBL ID CHEMBL3110248
Phase Preclinical
Structure Type MOL
InChI Key MNYPQSNAWPZXRV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

141.2
MW (Da)
0.35
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H7N3S
MW 141.20
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 3.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain adjacent to zinc finger domain protein 2B
CHEMBL1741220
IC50 3.31 3.31 495000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24304323 10.1021/jm401582c Bromodomain adjacent to zinc finger domain protein 2B 7

Data from ChEMBL 36 via Core Engine