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Compound Detail

CHEMBL5960248

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CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCCn3cncn3)cn2)C1

Basic Information

ChEMBL ID CHEMBL5960248
Phase Preclinical
Structure Type MOL
InChI Key WWPDYLFXLRZIML-GOSISDBHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
1.94
ALogP
9
HBA
1
HBD
107.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N7O3
MW 437.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.72

Activity Summary

IC50 2 meas. best 7.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 7.49 7.49 32.4 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine