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

CHEMBL140714

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
CCCCOc1ccnc(C[S+]([O-])c2nc3cscc3[nH]2)c1

Basic Information

ChEMBL ID CHEMBL140714
Phase Preclinical
Structure Type MOL
InChI Key FGLZRJMTUDPOAA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.51
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N3O2S2
MW 335.45
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 1000.0 nM 6.0 In vitro inhibition of 14C amino-pyrine uptake was determined in isolated rabbit... 1310742

Literature References

PubMed DOI Target Context # Activities
1310742 10.1021/jm00081a004 Oryctolagus cuniculus 1
1310742 10.1021/jm00081a004 Potassium-transporting ATPase 1
1310742 10.1021/jm00081a004 Rattus norvegicus 1
1310742 10.1021/jm00081a004 Unchecked 1

Data from ChEMBL 36 via Core Engine