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Compound Detail

CHEMBL3903350

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Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(Br)c3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3903350
Phase Preclinical
Structure Type MOL
InChI Key JCGWUVPSXWSSLU-VGOFMYFVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
5.45
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.40
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 C22H18BrNO3S
MW 456.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Molecular identity unknown IC50 = 15000.0 nM 4.82 Antifilarial activity against Brugia malayi microfilariae isolated from peritone... 27592395

Literature References

PubMed DOI Target Context # Activities
27592395 10.1016/j.ejmech.2016.08.042 Molecular identity unknown 2
27592395 10.1016/j.ejmech.2016.08.042 NON-PROTEIN TARGET 1
27592395 10.1016/j.ejmech.2016.08.042 Brugia malayi 1

Data from ChEMBL 36 via Core Engine