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Compound Detail

CHEMBL1797657

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COc1ccccc1CSC[C@@H](NC(=O)C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1797657
Phase Preclinical
Structure Type MOL
InChI Key VKUCQNBXHLAASJ-SECBINFHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
0.58
ALogP
5
HBA
3
HBD
112.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO6S
MW 313.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.32

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