Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5816746

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCCC(=O)NC)cn2)C1

Basic Information

ChEMBL ID CHEMBL5816746
Phase Preclinical
Structure Type MOL
InChI Key PGILSSPBYSJVBW-QGZVFWFLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
1.79
ALogP
7
HBA
2
HBD
105.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N5O4
MW 427.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.40

Activity Summary

IC50 2 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Diacylglycerol O-acyltransferase 2
CHEMBL5853
IC50 7.27 7.27 53.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine