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Compound Detail

CHEMBL582943

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CCN(CCOC(=O)/C=C/c1ccc(O)cc1)Cc1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL582943
Phase Preclinical
Structure Type MOL
InChI Key KOSAAJODSUOPPE-BJMVGYQFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.9
MW (Da)
3.83
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22ClNO4
MW 375.85
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dengue virus
CHEMBL613757
 IC50 4.34 4.34 46000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dengue virus IC50 = 46000.0 nM 4.34 Antiviral activity against Dengue virus 19739651

Literature References

PubMed DOI Target Context # Activities
19739651 10.1021/jm900652e Dengue virus 1

Data from ChEMBL 36 via Core Engine