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Compound Detail

CHEMBL2268814

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COc1ccc(CNC(=O)c2ccccc2C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2268814
Phase Preclinical
Structure Type MOL
InChI Key SPJXWBYPYHPDEV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.94
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO3
MW 285.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8573592 10.1016/0005-2728(95)00131-x Unchecked 4
8573592 10.1016/0005-2728(95)00131-x NADH-ubiquinone oxidoreductase chain 1 1

Data from ChEMBL 36 via Core Engine