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Compound Detail

CHEMBL366041

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Nc1ccc2cccc(OCC3CC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL366041
Phase Preclinical
Structure Type MOL
InChI Key RXOJSAHQUBFKIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
2.61
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.85
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 C13H14N2O
MW 214.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
15341942 10.1016/j.bmcl.2004.07.032 Melanin-concentrating hormone receptor 1 1

Data from ChEMBL 36 via Core Engine