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Compound Detail

CHEMBL3347572

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CCNC(=S)SSC(=S)NCC

Basic Information

ChEMBL ID CHEMBL3347572
Phase Preclinical
Structure Type MOL
InChI Key AMFIBVNSEBYBAM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

240.4
MW (Da)
2.16
ALogP
4
HBA
2
HBD
24.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H12N2S4
MW 240.44
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4A
CHEMBL5896
IC50 4.82 4.82 15300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 4A IC50 = 15300.0 nM 4.82 Inhibition of JMJD2A (unknown origin) using ARK(me3)STGGK peptide as substrate p... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00199J Lysine-specific demethylase 4A 1

Data from ChEMBL 36 via Core Engine