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Compound Detail

CHEMBL185074

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CCCCCCCCCCCCCCCC(=O)Oc1cc(/C=C/c2ccccc2)cc(OC(=O)CCCCCCCCCCCCCCC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185074
Phase Preclinical
Structure Type MOL
InChI Key BWAHDWZGNPEZNZ-BSRQYYOTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

689.1
MW (Da)
14.63
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.03
QED
2
Ro5 Violations
32
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H72O4
MW 689.08
Aromatic Rings 2
Heavy Atoms 50
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
15501064 10.1016/j.bmcl.2004.09.022 RAW264.7 1

Data from ChEMBL 36 via Core Engine