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

CHEMBL6029845

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
O=S(=O)(c1ccc(-c2ccc(O)cc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6029845
Phase Preclinical
Structure Type MOL
InChI Key POXHDIIDKDSXRH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
2.59
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O3S
MW 440.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 10.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 2B
CHEMBL3779760
 IC50 10.68 10.68 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 2B IC50 = 0.021 nM 10.68 KDM2B TR-FRET Assay: Full length KDM2B was cloned, expressed, and purified to ho... -

Data from ChEMBL 36 via Core Engine