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

CHEMBL1505807

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)NNC2=NS(=O)(=O)c3ccccc32)c(C)c1

Basic Information

ChEMBL ID CHEMBL1505807
Phase Preclinical
Structure Type MOL
InChI Key QARULBNZWNDVPO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
1.24
ALogP
5
HBA
2
HBD
104.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O4S2
MW 365.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.02

Activity Summary

IC50 2 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL4117
IC50 5.0 5.0 9970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N IC50 = 9970.0 nM 5.0 PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... -

Literature References

PubMed DOI Target Context # Activities
22901392 10.1016/j.bmcl.2012.07.086 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine