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Compound Detail

CHEMBL6038342

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CCOc1ccccc1OC1CCCN([C@@H](CNC(=O)c2cncnc2)S(C)(=O)=O)C1

Basic Information

ChEMBL ID CHEMBL6038342
Phase Preclinical
Structure Type MOL
InChI Key JZFMJOGBDXKFND-UUSAFJCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
1.52
ALogP
8
HBA
1
HBD
110.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O5S
MW 448.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 6.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 6.99 6.99 102.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine