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Compound Detail

CHEMBL4462733

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CN1CCN(S(=O)(=O)c2ccc(C(=O)N/N=C3\CCc4cccc(O)c43)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462733
Phase Preclinical
Structure Type MOL
InChI Key ZFKRUXVWQRFCME-RELWKKBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
1.41
ALogP
6
HBA
2
HBD
102.3
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 C21H24N4O4S
MW 428.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.17

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