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Compound Detail

CHEMBL2440526

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S=C(SCc1cn(Cc2ccc(Cl)cc2)nn1)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2440526
Phase Preclinical
Structure Type MOL
InChI Key NEBSWKRRFLEZJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.9
MW (Da)
3.98
ALogP
5
HBA
0
HBD
34.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19ClN4S2
MW 366.94
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.11

Literature References

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

Data from ChEMBL 36 via Core Engine