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Compound Detail

CHEMBL242946

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CN(C)c1ccc(/C=C/C(=O)c2ccccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242946
Phase Preclinical
Structure Type MOL
InChI Key NSBRMLGDDBWATL-FMIVXFBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.35
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO2
MW 267.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
20639112 10.1016/j.bmc.2010.05.033 Rattus norvegicus 5
17383189 10.1016/j.bmc.2007.03.031 TK-10 1
17383189 10.1016/j.bmc.2007.03.031 MCF7 1
17383189 10.1016/j.bmc.2007.03.031 HT-29 1
20639112 10.1016/j.bmc.2010.05.033 HT-29 1
20639112 10.1016/j.bmc.2010.05.033 MCF7 1
20639112 10.1016/j.bmc.2010.05.033 TK-10 1
25782744 10.1016/j.bmcl.2015.02.060 Tyrosinase 1
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine