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Compound Detail

CHEMBL476628

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O=C1/C(=C/C=C/c2ccccc2)CC/C1=C\C=C\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL476628
Phase Preclinical
Structure Type MOL
InChI Key QMOAOGJBIBSQOO-AWKIKHLOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
5.63
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20O
MW 312.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19243951 10.1016/j.bmc.2008.10.044 PC-3 1
19243951 10.1016/j.bmc.2008.10.044 No relevant target 1

Data from ChEMBL 36 via Core Engine