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Compound Detail

CHEMBL1382563

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O=c1oc(-c2cc3ccccc3o2)nc2sc3c(c12)CCCC3

Basic Information

ChEMBL ID CHEMBL1382563
Phase Preclinical
Structure Type MOL
InChI Key YNVYCLOWNUHMBI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
4.54
ALogP
5
HBA
0
HBD
56.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13NO3S
MW 323.37
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.34 5.34 4594.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4594.0 nM 5.34 PUBCHEM_BIOASSAY: Anti-Viral Drugs Against Arbovirus Infections, a Confirmatory ... -

Data from ChEMBL 36 via Core Engine