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Compound Detail

CHEMBL1169729

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Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1169729
Phase Preclinical
Structure Type MOL
InChI Key MFOIDMXDKSXGLH-CXUHLZMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
4.69
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19NO3S
MW 377.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
 IC50 5.01 5.01 9700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Molecular identity unknown IC50 = 9700.0 nM 5.01 Antifilarial activity against Brugia malayi microfilariae isolated from peritone... 27592395

Literature References

PubMed DOI Target Context # Activities
25618015 10.1016/j.ejmech.2015.01.036 HepG2 5
27592395 10.1016/j.ejmech.2016.08.042 Molecular identity unknown 2
20570515 10.1016/j.bmcl.2010.05.033 Potassium channel subfamily K member 10 1
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