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Compound Detail

CHEMBL4461352

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O=C(N/N=C1\CCc2cccc(O)c21)c1ccc(S(=O)(=O)N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461352
Phase Preclinical
Structure Type MOL
InChI Key KJQWEQHRBWFPPH-HEHNFIMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
1.49
ALogP
6
HBA
2
HBD
108.3
PSA (Ų)
0.74
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 C20H21N3O5S
MW 415.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.29

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