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Compound Detail

CHEMBL5809013

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O=C(O)c1ccncc1NCC1CCSc2ccccc21

Basic Information

ChEMBL ID CHEMBL5809013
Phase Preclinical
Structure Type MOL
InChI Key CSTNPQXWKMDTFL-UHFFFAOYSA-N
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.47
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N2O2S
MW 300.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.79

Activity Summary

IC50 7 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.26 6.26 550.0 1
Lysine-specific demethylase 4C
CHEMBL6175
IC50 6.26 6.26 550.0 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine