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

CHEMBL3901558

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=c1c2ccccc2sn1-c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3901558
Phase Preclinical
Structure Type MOL
InChI Key ZZGGLSHLBVZOQU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
4.21
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11NOS
MW 277.35
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.58 5.58 2640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 2640.0 nM 5.58 Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 af... 28159413

Literature References

PubMed DOI Target Context # Activities
27073054 10.1016/j.bmc.2016.03.060 Staphylococcus aureus 28
28159413 10.1016/j.bmcl.2017.01.027 Staphylococcus aureus 4
27073054 10.1016/j.bmc.2016.03.060 Enterococcus faecalis 2
28159413 10.1016/j.bmcl.2017.01.027 Pseudomonas aeruginosa 1
28159413 10.1016/j.bmcl.2017.01.027 Unchecked 1
28159413 10.1016/j.bmcl.2017.01.027 Vero C1008 1
28159413 10.1016/j.bmcl.2017.01.027 Plasmodium falciparum 1
28159413 10.1016/j.bmcl.2017.01.027 Candida parapsilosis 1
28159413 10.1016/j.bmcl.2017.01.027 Aspergillus fumigatus 1
28159413 10.1016/j.bmcl.2017.01.027 Trichophyton mentagrophytes 1
28159413 10.1016/j.bmcl.2017.01.027 Sporothrix schenckii 1
28159413 10.1016/j.bmcl.2017.01.027 Cryptococcus neoformans 1
28159413 10.1016/j.bmcl.2017.01.027 Candida albicans 1
28159413 10.1016/j.bmcl.2017.01.027 Klebsiella pneumoniae 1
28159413 10.1016/j.bmcl.2017.01.027 Escherichia coli 1
27073054 10.1016/j.bmc.2016.03.060 NON-PROTEIN TARGET 1
27073054 10.1016/j.bmc.2016.03.060 Mycolicibacterium smegmatis 1
27073054 10.1016/j.bmc.2016.03.060 Listeria monocytogenes 1
27073054 10.1016/j.bmc.2016.03.060 Enterococcus 1
27073054 10.1016/j.bmc.2016.03.060 Enterococcus faecium 1

Data from ChEMBL 36 via Core Engine