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Compound Detail

CHEMBL1835906

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CCOC(=O)c1ccc(OCCC2CN(c3ccc(C)nn3)CCO2)cc1

Basic Information

ChEMBL ID CHEMBL1835906
Phase Preclinical
Structure Type MOL
InChI Key SOGNSBBKLSTULS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
2.64
ALogP
7
HBA
0
HBD
73.8
PSA (Ų)
0.69
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 C20H25N3O4
MW 371.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
rhinovirus A16
CHEMBL613769
IC50 7.2 7.2 63.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
rhinovirus A16 IC50 = 63.1 nM 7.2 Antiviral activity against Human rhinovirus 16 infected in human HeLa Ohio cells... 21907579

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
21907579 10.1016/j.bmcl.2011.08.083 rhinovirus A16 1

Data from ChEMBL 36 via Core Engine