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Compound Detail

CHEMBL4867993

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COc1ccc2[nH]c(=O)n(CCNC(C)=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4867993
Phase Preclinical
Structure Type MOL
InChI Key ZYWDVZBYMVLQLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
0.47
ALogP
4
HBA
2
HBD
76.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O3
MW 249.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.21

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