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Compound Detail

CHEMBL504854

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CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504854
Phase Preclinical
Structure Type MOL
InChI Key UPYTZZZLHBKNFL-VSYGCSOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

656.9
MW (Da)
8.20
ALogP
7
HBA
2
HBD
110.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H64O7
MW 656.94
Aromatic Rings 0
Heavy Atoms 47
NP-Likeness 2.12

Literature References

PubMed DOI Target Context # Activities
19361196 10.1021/jm9001007 Transient receptor potential cation channel subfamily V member 4 1

Data from ChEMBL 36 via Core Engine