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Compound Detail

CHEMBL2440539

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CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2440539
Phase Preclinical
Structure Type MOL
InChI Key GGBZPLIZQMVNJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
3.31
ALogP
9
HBA
0
HBD
106.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N6O4S2
MW 478.60
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.90

Literature References

PubMed DOI Target Context # Activities
24131029 10.1021/jm401002r Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine