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Compound Detail

CHEMBL3759661

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CNC(=O)NCc1cc2c(ccc3ccc(OC)cc32)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3759661
Phase Preclinical
Structure Type MOL
InChI Key RJEAWCKOSGFIHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
3.02
ALogP
3
HBA
2
HBD
63.5
PSA (Ų)
0.78
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 C16H16N2O3
MW 284.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
26820449 10.1016/j.ejmech.2015.12.047 Melatonin receptor type 1A 1
26820449 10.1016/j.ejmech.2015.12.047 Melatonin receptor type 1B 1
26820449 10.1016/j.ejmech.2015.12.047 5-hydroxytryptamine receptor 2C 1

Data from ChEMBL 36 via Core Engine