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Compound Detail

CHEMBL1829031

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C=CCc1cc(CO)c(O)c(-c2ccc(O)c(CC=C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1829031
Phase Preclinical
Structure Type MOL
InChI Key WTEBYALVNCYCQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.71
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.71
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 C19H20O3
MW 296.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.20

Literature References

PubMed DOI Target Context # Activities
21853991 10.1021/jm200830u HUVEC 1
21853991 10.1021/jm200830u A549 1
21853991 10.1021/jm200830u HepG2 1
21853991 10.1021/jm200830u NON-PROTEIN TARGET 1
29402745 10.1016/j.bmcl.2017.06.022 Staphylococcus aureus 1
29402745 10.1016/j.bmcl.2017.06.022 Escherichia coli 1
31278004 10.1016/j.bmc.2019.06.042 No relevant target 1

Data from ChEMBL 36 via Core Engine