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Compound Detail

CHEMBL456686

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CC(=O)Oc1ccccc1C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=CCCCC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456686
Phase Preclinical
Structure Type MOL
InChI Key GHDILACTWZHSDP-LIIJMUGKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.6
MW (Da)
6.91
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34O4
MW 434.58
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.27

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19036585 10.1016/j.bmcl.2008.11.028 Fibroblast 1
19036585 10.1016/j.bmcl.2008.11.028 ADMET 1
19036585 10.1016/j.bmcl.2008.11.028 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine