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Compound Detail

CHEMBL60946

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COc1ccc2[nH]cc3c2c1CCC3NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60946
Phase Preclinical
Structure Type MOL
InChI Key HZMMIEPWZLRBQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.30
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O2
MW 244.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.38

Literature References

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

Data from ChEMBL 36 via Core Engine