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Compound Detail

CHEMBL58780

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CCCCCCCC(=O)OC1CC[C@H](/C=C/CO)CC1OC(=O)CCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL58780
Phase Preclinical
Structure Type MOL
InChI Key WQNGSAHMWUOFLN-YKEHHNJJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
5.88
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H44O5
MW 424.62
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 1.23

Literature References

PubMed DOI Target Context # Activities
2362276 10.1021/jm00169a023 Unchecked 2

Data from ChEMBL 36 via Core Engine