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Compound Detail

CHEMBL226588

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COc1cc(/C=C/C(=O)NCCc2ccc(O)c(OC)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226588
Phase Preclinical
Structure Type MOL
InChI Key GRXBVKANHNUZNL-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
2.49
ALogP
5
HBA
3
HBD
88.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO5
MW 343.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
21500777 10.1021/np100900k B16-F10 2
17547458 10.1021/np070089n HepG2 1
17547458 10.1021/np070089n WI-38 VA13 1
17547458 10.1021/np070089n WI-38 1
20384293 10.1021/np100022s Mycobacterium tuberculosis 1
21500777 10.1021/np100900k Tyrosinase 1
33939429 10.1021/acs.jnatprod.1c00146 RAW264.7 1
33822610 10.1021/acs.jnatprod.1c00055 BV-2 1

Data from ChEMBL 36 via Core Engine