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Compound Detail

CHEMBL4216819

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Cc1cc(-c2noc(C(C)C)n2)ccc1Oc1ccnc(C(=O)N(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216819
Phase Preclinical
Structure Type MOL
InChI Key YWKHQLXKKVVERI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.06
ALogP
6
HBA
0
HBD
81.3
PSA (Ų)
0.68
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 C20H22N4O3
MW 366.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.61

Activity Summary

EC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
rhinovirus B14
CHEMBL613759
 EC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
rhinovirus B14 EC50 = 490.0 nM 6.31 Antiviral activity against Human rhinovirus B14 infected in human H1HeLa cells a... 30034598

Literature References

PubMed DOI Target Context # Activities
30034598 10.1021/acsmedchemlett.8b00134 H1-HeLa 1
30034598 10.1021/acsmedchemlett.8b00134 rhinovirus B14 1
30034598 10.1021/acsmedchemlett.8b00134 rhinovirus A21 1
30034598 10.1021/acsmedchemlett.8b00134 Unchecked 1

Data from ChEMBL 36 via Core Engine