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Compound Detail

CHEMBL4436053

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CC(=O)O[C@@H]1C(=O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436053
Phase Preclinical
Structure Type MOL
InChI Key KUWWSXKQWRFLOI-RCCFBDPRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
1.53
ALogP
6
HBA
0
HBD
65.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO5
MW 327.34
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.83

Activity Summary

EC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dengue virus
CHEMBL613757
 EC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dengue virus EC50 = 400.0 nM 6.4 Antiviral activity against dengue virus 31128447

Literature References

PubMed DOI Target Context # Activities
31128447 10.1016/j.ejmech.2019.05.010 Dengue virus 1

Data from ChEMBL 36 via Core Engine