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Compound Detail

CHEMBL595676

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CCn1ccc2cc(Cc3ccc(OC)c(OC)c3OC)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595676
Phase Preclinical
Structure Type MOL
InChI Key FNXJOWAUIWCZAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.28
ALogP
4
HBA
0
HBD
32.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO3
MW 325.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
19647439 10.1016/j.bmc.2009.07.012 HT-29 1
19647439 10.1016/j.bmc.2009.07.012 HeLa 1
19647439 10.1016/j.bmc.2009.07.012 A549 1
19647439 10.1016/j.bmc.2009.07.012 Unchecked 1

Data from ChEMBL 36 via Core Engine