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Compound Detail

CHEMBL5809259

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CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)N3CC(Oc4ccccc4)C3)cn2)C1

Basic Information

ChEMBL ID CHEMBL5809259
Phase Preclinical
Structure Type MOL
InChI Key LXSGWMQGIMDSGC-JOCHJYFZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
3.83
ALogP
7
HBA
0
HBD
77.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N4O4
MW 474.56
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.12

Activity Summary

IC50 2 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 9.22 9.22 0.6 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine