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Compound Detail

CHEMBL477058

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C=CCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCC=C)c(OC)c3)C2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477058
Phase Preclinical
Structure Type MOL
InChI Key NWFZRGXSOMIXIT-LKNRODPVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
6.05
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30O5
MW 446.54
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23800686 10.1016/j.bmcl.2013.05.080 11-beta-hydroxysteroid dehydrogenase 1 4
23800686 10.1016/j.bmcl.2013.05.080 11-beta-hydroxysteroid dehydrogenase type 2 2
19243951 10.1016/j.bmc.2008.10.044 HL-60 1
19243951 10.1016/j.bmc.2008.10.044 No relevant target 1

Data from ChEMBL 36 via Core Engine