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Compound Detail

CHEMBL4204743

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COc1cc(CC(O)c2ccc(N3CCNCC3)cc2)c([N+](=O)[O-])cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4204743
Phase Preclinical
Structure Type MOL
InChI Key PPJWMOGZMFHJRJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
2.30
ALogP
7
HBA
2
HBD
97.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O5
MW 387.44
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.70

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28987610 10.1016/j.ejmech.2017.09.036 rhinovirus B14 1
28987610 10.1016/j.ejmech.2017.09.036 Unchecked 1

Data from ChEMBL 36 via Core Engine