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Compound Detail

CHEMBL53721

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COc1ccc(CCNC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53721
Phase Preclinical
Structure Type MOL
InChI Key VIFWHZYHQSVJGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
1.37
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.78
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 C11H15NO2
MW 193.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
8627603 10.1021/jm9508189 Melatonin receptor 2
7783136 10.1021/jm00012a004 Melatonin receptor 1
8411005 10.1021/jm00072a008 Melatonin receptor 1
8411005 10.1021/jm00072a008 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine