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Compound Detail

CHEMBL1242456

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CCCCCCCC/C=C\CCCCCCCCc1c(O)cc(O)c(C(C)=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1242456
Phase Preclinical
Structure Type MOL
InChI Key LTBRKKXXJODCLY-KHPPLWFESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

418.6
MW (Da)
7.59
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.14
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H42O4
MW 418.62
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.17

Literature References

PubMed DOI Target Context # Activities
20619940 10.1016/j.ejmech.2010.06.025 HeLa 1
20619940 10.1016/j.ejmech.2010.06.025 A549 1
20619940 10.1016/j.ejmech.2010.06.025 HT-29 1
20619940 10.1016/j.ejmech.2010.06.025 HL-60 1

Data from ChEMBL 36 via Core Engine