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Compound Detail

CHEMBL5997887

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CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)N3CC[C@H]3C(N)=O)cn2)C1

Basic Information

ChEMBL ID CHEMBL5997887
Phase Preclinical
Structure Type MOL
InChI Key FUNOBJOOGSJVBE-SJORKVTESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
1.62
ALogP
7
HBA
1
HBD
110.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N5O4
MW 425.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.19

Activity Summary

IC50 2 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 6.77 6.77 170.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine