Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL600802

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1noc(C)c1S(=O)(=O)Oc1ccc(C[C@@H](NC(=O)C(=O)O)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL600802
Phase Preclinical
Structure Type MOL
InChI Key FJNXQONCHSNAMO-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
0.26
ALogP
8
HBA
3
HBD
173.1
PSA (Ų)
0.42
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 C16H16N2O9S
MW 412.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 4.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.08 4.08 82900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 82900.0 nM 4.08 Inhibition of JMJD2E by FDH coupled assay 20088513

Literature References

PubMed DOI Target Context # Activities
20088513 10.1021/jm901680b Unchecked 4
20088513 10.1021/jm901680b Lysine-specific demethylase 4A 1

Data from ChEMBL 36 via Core Engine