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

CHEMBL4226498

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
O=C(NO)C1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226498
Phase Preclinical
Structure Type MOL
InChI Key KKRXEVRPSWCKFJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
0.71
ALogP
5
HBA
2
HBD
107.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O5S
MW 389.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Falcilysin
CHEMBL4295876
 IC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Falcilysin IC50 = 40000.0 nM 4.4 Inhibition of Plasmodium falciparum 3D7 FLN (55 to 1193 residues) expressed in E... 29691139

Literature References

PubMed DOI Target Context # Activities
29691139 10.1016/j.bmcl.2018.04.010 Falcilysin 1
29691139 10.1016/j.bmcl.2018.04.010 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine