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Compound Detail

CHEMBL4525326

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COc1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)N/N=C3\CCc4c(Cl)ccc(O)c43)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4525326
Phase Preclinical
Structure Type MOL
InChI Key CYHVYGKXJNPQSH-LGUFXXKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

516.0
MW (Da)
3.94
ALogP
7
HBA
3
HBD
126.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClN3O6S
MW 515.98
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.25

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