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Compound Detail

CHEMBL4083806

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C/C(=C\c1ccccc1)C1=Cc2ccccc2OC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4083806
Phase Preclinical
Structure Type MOL
InChI Key WVTMMOYCQFEHQC-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
4.57
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16O
MW 248.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
28242170 10.1016/j.bmc.2017.02.012 HeLa 2
28242170 10.1016/j.bmc.2017.02.012 rhinovirus A1B 1
28242170 10.1016/j.bmc.2017.02.012 rhinovirus B14 1

Data from ChEMBL 36 via Core Engine