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Compound Detail

CHEMBL4867474

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CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4867474
Phase Preclinical
Structure Type MOL
InChI Key DURORZYHZGDNML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.75
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25N3O3
MW 331.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
33626870 10.1021/acs.jmedchem.0c00627 Melatonin receptor type 1A 3
33626870 10.1021/acs.jmedchem.0c00627 Melatonin receptor type 1B 3

Data from ChEMBL 36 via Core Engine