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Compound Detail

CHEMBL4174842

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CCCCCCCCC(=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 CHEMBL4174842
Phase Preclinical
Structure Type MOL
InChI Key DKAPRWVGZDYZIB-IRILJHRSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

596.9
MW (Da)
10.54
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H64O4
MW 596.94
Aromatic Rings 0
Heavy Atoms 43
NP-Likeness 2.69

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