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Compound Detail

CHEMBL4173068

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C=C(C)C(CC/C(C)=C/COc1ccc2ccc(=O)oc2c1)OO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173068
Phase Preclinical
Structure Type MOL
InChI Key GFNDGCJFPVJMQB-GXDHUFHOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.33
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H22O5
MW 330.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.92

Literature References

PubMed DOI Target Context # Activities
29975532 10.1021/acs.jnatprod.7b00938 A549 1
29975532 10.1021/acs.jnatprod.7b00938 MDA-MB-231 1
29975532 10.1021/acs.jnatprod.7b00938 HepG2 1

Data from ChEMBL 36 via Core Engine