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Compound Detail

CHEMBL5852526

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O=S(=O)(c1ccc2c(c1)CCC2)N1CCN=C1N1CCN(C2CCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5852526
Phase Preclinical
Structure Type MOL
InChI Key TVJKSFRSPWYHQE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
1.71
ALogP
5
HBA
0
HBD
56.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N4O2S
MW 388.54
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 10.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 2B
CHEMBL3779760
 IC50 10.51 10.51 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 2B IC50 = 0.031 nM 10.51 KDM2B TR-FRET Assay: Full length KDM2B was cloned, expressed, and purified to ho... -

Data from ChEMBL 36 via Core Engine