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Compound Detail

CHEMBL3765813

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Clc1cccc(-c2nnc(/C=C/c3ccc(-c4ccccc4)s3)o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765813
Phase Preclinical
Structure Type MOL
InChI Key MCGSGUAHXVQONR-ZRDIBKRKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

364.9
MW (Da)
6.29
ALogP
4
HBA
0
HBD
38.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13ClN2OS
MW 364.86
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.85 4.85 14100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 14100.0 nM 4.85 Inhibition of Dengue virus 2 RdRp using homopolymeric uridine RNA as template as... 26774922

Literature References

PubMed DOI Target Context # Activities
26774922 10.1016/j.ejmech.2015.12.046 dengue virus type 2 2
26774922 10.1016/j.ejmech.2015.12.046 dengue virus type 4 2
26774922 10.1016/j.ejmech.2015.12.046 dengue virus type 1 1
26774922 10.1016/j.ejmech.2015.12.046 ADMET 1
26774922 10.1016/j.ejmech.2015.12.046 Unchecked 1
26774922 10.1016/j.ejmech.2015.12.046 dengue virus type 3 1

Data from ChEMBL 36 via Core Engine