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Compound Detail

CHEMBL302883

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CCC(=O)NCc1c[nH]c2ccc(OC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302883
Phase Preclinical
Structure Type MOL
InChI Key MCZQJBLZSZBPOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
2.20
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O2
MW 232.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
9207940 10.1021/jm960651z Melatonin receptor 1

Data from ChEMBL 36 via Core Engine