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

CHEMBL287542

RAFOXANIDE
🧪 Phase II
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
🧪 Phase II
O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O

Basic Information

ChEMBL ID CHEMBL287542
Name RAFOXANIDE
Phase Phase II
Structure Type MOL
InChI Key NEMNPWINWMHUMR-UHFFFAOYSA-N

Known Names

NSC-355278 Rafoxanida Rafoxanide
13
Targets
26
Activities
3
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

626.0
MW (Da)
6.95
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -oxanide
USAN Year 1970

Extended Properties

Molecular Formula C19H11Cl2I2NO3
MW 626.02
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.33

Activity Summary

IC50 18 meas. best 8.08
EC50 7 meas. best 7.1
Ki 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.08 6.8418 8.4 11
Streptococcus sp. 'group A'
CHEMBL612389
EC50 7.1 7.1 80.0 1
Chitinase
CHEMBL1795119
Ki 6.89 6.89 130.0 1
Streptococcus
CHEMBL612313
EC50 6.86 6.86 137.0 1
Staphylococcus aureus
CHEMBL352
EC50 6.5 6.485 320.0 2
Chitinase
CHEMBL1795119
IC50 6.47 6.47 340.0 1
Enterococcus faecium
CHEMBL357
EC50 6.0 6.0 990.0 1
GroEL/GroES
CHEMBL4106139
IC50 5.66 5.515 2200.0 2
Pancreatic triacylglycerol lipase
CHEMBL1812
IC50 5.6 5.6 2520.0 1
HSP60/HSP10
CHEMBL4106131
IC50 5.55 5.55 2800.0 1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
IC50 4.88 4.88 13030.0 1
Envelope glycoprotein gp160
CHEMBL1293311
IC50 4.71 4.71 19700.0 1
Acinetobacter baumannii
CHEMBL614425
EC50 4.51 4.51 31000.0 1
Enterobacter cloacae
CHEMBL349
EC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8.4 nM 8.08 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 9.5 nM 8.02 PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 10.8 nM 7.97 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 14.3 nM 7.84 PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 16.95 nM 7.77 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 30.3 nM 7.52 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 54.0 nM 7.27 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Streptococcus sp. 'group A' EC50 = 80.0 nM 7.1 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -
Chitinase Ki = 130.0 nM 6.89 Competitive inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-... 24918716
Streptococcus EC50 = 137.0 nM 6.86 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... -
Staphylococcus aureus EC50 = 320.0 nM 6.5 Antibacterial activity against Staphylococcus aureus ATCC 25923 after 6 to 8 hrs... 30392371
Staphylococcus aureus EC50 = 340.0 nM 6.47 Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... 30392371
Chitinase IC50 = 340.0 nM 6.47 Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbell... 24918716
Enterococcus faecium EC50 = 990.0 nM 6.0 Antibacterial activity against Enterococcus faecium ATCC 19434 after 24 hrs by b... 30392371
Unchecked IC50 = 1301.9 nM 5.88 PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... -
GroEL/GroES IC50 = 2200.0 nM 5.66 Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Esch... 30392371
Pancreatic triacylglycerol lipase IC50 = 2520.0 nM 5.6 Negative allosteric modulator activity at human Pancreatic lipase using DDAO-ol ... 37490786
HSP60/HSP10 IC50 = 2800.0 nM 5.55 Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia co... 30392371
GroEL/GroES IC50 = 4300.0 nM 5.37 Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Esch... 30392371
Unchecked IC50 = 6571.03 nM 5.18 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 HEK-293T 6
- 10.6019/CHEMBL5303304 U2OS 6
24918716 10.1021/jm5006435 Chitinase 3
24918716 10.1021/jm5006435 Unchecked 3
24918716 10.1021/jm5006435 HEK-293T 3
- 10.6019/CHEMBL5303304 Fibroblast 3
30392371 10.1021/acs.jmedchem.8b01293 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
30392371 10.1021/acs.jmedchem.8b01293 Staphylococcus aureus 2
30392371 10.1021/acs.jmedchem.8b01293 GroEL/GroES 2
24918716 10.1021/jm5006435 Onchocerca volvulus 2
24918716 10.1021/jm5006435 Caenorhabditis elegans 2
3965706 10.1021/jm00379a025 Fasciola hepatica 1
30392371 10.1021/acs.jmedchem.8b01293 Enterococcus faecium 1
30392371 10.1021/acs.jmedchem.8b01293 Thiosulfate sulfurtransferase 1
30392371 10.1021/acs.jmedchem.8b01293 Klebsiella pneumoniae 1
30392371 10.1021/acs.jmedchem.8b01293 Acinetobacter baumannii 1
38295689 10.1016/j.ejmech.2023.116117 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
30392371 10.1021/acs.jmedchem.8b01293 HSP60/HSP10 1

Data from ChEMBL 36 via Core Engine