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Compound Detail

CHEMBL4528729

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CNS(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3cccc(O)c32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4528729
Phase Preclinical
Structure Type MOL
InChI Key XOSXJULQGVSFIU-XMHGGMMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
1.38
ALogP
5
HBA
3
HBD
107.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O4S
MW 359.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
27524309 10.1016/j.bmcl.2015.06.054 Lysine-specific histone demethylase 1A 3

Data from ChEMBL 36 via Core Engine