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Compound Detail

CHEMBL5590932

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CN(C)c1ccc(Nc2nc(-c3cccc(S(C)(=O)=O)c3)nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590932
Phase Preclinical
Structure Type MOL
InChI Key GYBMBRHVWDUUNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
4.51
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O2S
MW 418.52
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
39264726 10.1021/acs.jmedchem.4c00972 Lysine-specific histone demethylase 1A 2

Data from ChEMBL 36 via Core Engine