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Compound Detail

CHEMBL4211300

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CC(C)c1nc(-c2ccc(Oc3ccnc(C(=O)N(C)C)c3)cc2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211300
Phase Preclinical
Structure Type MOL
InChI Key UZWQBOJXIQZVGG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.75
ALogP
6
HBA
0
HBD
81.3
PSA (Ų)
0.70
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 C19H20N4O3
MW 352.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.60

Activity Summary

EC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
rhinovirus B14
CHEMBL613759
 EC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
rhinovirus B14 EC50 = 280.0 nM 6.55 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