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Compound Detail

CHEMBL5751943

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O=S(=O)(c1ccc(-c2ccsc2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5751943
Phase Preclinical
Structure Type MOL
InChI Key NTRYCGVFIAACFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
2.95
ALogP
6
HBA
0
HBD
56.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O2S2
MW 430.60
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.72

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