Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3891450

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3891450
Phase Preclinical
Structure Type MOL
InChI Key SCGUYSWUFMAEQM-CAOOACKPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
5.82
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25NO3S
MW 419.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
 IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Molecular identity unknown IC50 = 20000.0 nM 4.7 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