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

CHEMBL5196822

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
CN(C)c1ccc(CNC2CC2c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5196822
Phase Preclinical
Structure Type MOL
InChI Key PNTZTLITXZHKSP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
4.15
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N3O2S
MW 447.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.39

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
35200034 10.1021/acs.jmedchem.1c02156 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine