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Compound Detail

CHEMBL3209279

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C/C(=N\NC(=O)c1ccccc1C)c1ccc(NC(=O)c2cccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3209279
Phase Preclinical
Structure Type MOL
InChI Key RPEJFSUSPKOPJU-HZHRSRAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.46
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.51
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 C21H19N3O2S
MW 377.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.17

Activity Summary

IC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.28 6.28 524.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 524.0 nM 6.28 PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... -

Data from ChEMBL 36 via Core Engine