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Compound Detail

CHEMBL4854434

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CCOc1nc2cc(OC)ccc2n1CCNC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4854434
Phase Preclinical
Structure Type MOL
InChI Key NCBRJFRSUAKOLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.58
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19N3O3
MW 277.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.45

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