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Compound Detail

CHEMBL4074950

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CC(Cc1ccccc1)C1=Cc2ccccc2OC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4074950
Phase Preclinical
Structure Type MOL
InChI Key CMOKNGXEDMWLFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
4.34
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O
MW 250.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
28242170 10.1016/j.bmc.2017.02.012 rhinovirus B14 3
28242170 10.1016/j.bmc.2017.02.012 HeLa 2
28242170 10.1016/j.bmc.2017.02.012 rhinovirus A1B 1

Data from ChEMBL 36 via Core Engine