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Compound Detail

CHEMBL1583227

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Cc1nc(C[S+]([O-])c2ccc(Cl)cc2)cc(NCc2ccc(Cl)cc2Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1583227
Phase Preclinical
Structure Type MOL
InChI Key AGAYXIREIJZWSY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.8
MW (Da)
5.67
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16Cl3N3OS
MW 440.78
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 5.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.03 5.03 9420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9420.0 nM 5.03 PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... -

Data from ChEMBL 36 via Core Engine