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Compound Detail

CHEMBL360213

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CC(=O)N1CCc2c(ccc3c2CCO3)C1CC(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360213
Phase Preclinical
Structure Type MOL
InChI Key UFZQMJKTPUCLBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
5.29
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27NO2
MW 397.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
15501061 10.1016/j.bmcl.2004.09.024 Melatonin receptor type 1B 1
15501061 10.1016/j.bmcl.2004.09.024 Melatonin receptor type 1A 1

Data from ChEMBL 36 via Core Engine