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Compound Detail

CHEMBL106935

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COc1cc(/C=C2\Cc3ccccc3C2=O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106935
Phase Preclinical
Structure Type MOL
InChI Key OFVGYTVXPWPBMR-RIYZIHGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.53
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O4
MW 310.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
12086496 10.1021/jm010559p P388 1
12086496 10.1021/jm010559p L1210 1
12086496 10.1021/jm010559p NON-PROTEIN TARGET 1
12086496 10.1021/jm010559p CCRF-CEM 1

Data from ChEMBL 36 via Core Engine