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Compound Detail

CHEMBL5739928

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O=C(NC1CCOCC1)c1cc([C@@H]2C[C@H]2NCC2CC2)cs1

Basic Information

ChEMBL ID CHEMBL5739928
Phase Preclinical
Structure Type MOL
InChI Key SYOWOGKRSZOSFU-LSDHHAIUSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.5
MW (Da)
2.51
ALogP
4
HBA
2
HBD
50.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
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 -1.00

Activity Summary

IC50 6 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.44 6.44 360.0 1
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 6.44 6.44 360.0 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine