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

CHEMBL4166950

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
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166950
Phase Preclinical
Structure Type MOL
InChI Key ITDOEHMYYUILMX-RFOZCRODSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

721.2
MW (Da)
13.82
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H80O4
MW 721.16
Aromatic Rings 0
Heavy Atoms 52
NP-Likeness 2.42

Literature References

PubMed DOI Target Context # Activities
28802120 10.1016/j.ejmech.2017.08.012 Cholesteryl ester transfer protein 2

Data from ChEMBL 36 via Core Engine