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Compound Detail

CHEMBL4849193

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CCOc1nc2ccc(OC)cc2n1CCNC(=O)c1cc(=O)cco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4849193
Phase Preclinical
Structure Type MOL
InChI Key BFHGGIRBVQLZHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
1.83
ALogP
7
HBA
1
HBD
95.6
PSA (Ų)
0.69
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 C18H19N3O5
MW 357.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.15

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