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Compound Detail

CHEMBL1559138

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CCc1cc(C(=O)O)c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1

Basic Information

ChEMBL ID CHEMBL1559138
Phase Preclinical
Structure Type MOL
InChI Key FHKFRWIVRJHCKW-SOFGYWHQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.68
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.74
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 C18H19NO5S
MW 361.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.78 5.78 1675.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1675.0 nM 5.78 PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... -

Data from ChEMBL 36 via Core Engine