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Compound Detail

CHEMBL5964717

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O=C(NC1CCOCC1)c1csc(C2CC2NC2CCC2)c1

Basic Information

ChEMBL ID CHEMBL5964717
Phase Preclinical
Structure Type MOL
InChI Key CGTUABNRJYZTFD-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
2.65
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N2O2S
MW 320.46
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.88

Activity Summary

IC50 6 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 6.89 6.89 130.0 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine