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Compound Detail

CHEMBL1797656

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O=C(O)C(=O)N[C@H](CSCc1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1797656
Phase Preclinical
Structure Type MOL
InChI Key XOYZITDEDPOFJX-SECBINFHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
0.57
ALogP
4
HBA
3
HBD
103.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13NO5S
MW 283.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.29

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21596573 10.1016/j.bmc.2011.01.046 Lysine-specific demethylase 4E 1

Data from ChEMBL 36 via Core Engine