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Compound Detail

CHEMBL64368

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COC(=O)c1cc2c(CCCNC(C)=O)c(OC)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64368
Phase Preclinical
Structure Type MOL
InChI Key NHFQFVQESSUCCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.03
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O4
MW 304.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.49

Literature References

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

Data from ChEMBL 36 via Core Engine