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Compound Detail

CHEMBL5953035

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CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCC(=N)N)cn2)C1

Basic Information

ChEMBL ID CHEMBL5953035
Phase Preclinical
Structure Type MOL
InChI Key OXYPUIVWNNQWGE-OAHLLOKOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
1.59
ALogP
7
HBA
3
HBD
126.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N6O3
MW 398.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.07

Activity Summary

IC50 2 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 6.91 6.91 124.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine