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Compound Detail

CHEMBL403878

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COc1ccc2cc(C)c3cc(OC)c(OC)cc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403878
Phase Preclinical
Structure Type MOL
InChI Key MNCMDIYNUMCFNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
4.33
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O3
MW 282.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
18077159 10.1016/j.bmcl.2007.11.054 Unchecked 4
18077159 10.1016/j.bmcl.2007.11.054 CCRF-CEM 1
18077159 10.1016/j.bmcl.2007.11.054 NON-PROTEIN TARGET 1
18077159 10.1016/j.bmcl.2007.11.054 PANC-1 1

Data from ChEMBL 36 via Core Engine