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Compound Detail

CHEMBL6035462

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

Basic Information

ChEMBL ID CHEMBL6035462
Phase Preclinical
Structure Type MOL
InChI Key GUEDQOOMANAUEC-QGZVFWFLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
2.31
ALogP
7
HBA
2
HBD
119.7
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 C23H31N5O4
MW 441.53
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.12

Activity Summary

IC50 2 meas. best 7.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 7.91 7.91 12.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine