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

CHEMBL1095507

PSAMMAPLYSIN F
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
CNCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@]3(C2)CC(Br)=C(OC)C(Br)=CO3)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095507
Name PSAMMAPLYSIN F
Phase Preclinical
Structure Type MOL
InChI Key SVQWCRXJQYHZEQ-QFIPXVFZSA-N
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

731.1
MW (Da)
5.24
ALogP
7
HBA
2
HBD
90.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H25Br4N3O5
MW 731.07
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 1.21

Activity Summary

IC50 9 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.06 5.955 870.0 2
HEK293
CHEMBL614818
 IC50 4.96 4.96 11000.0 1
Staphylococcus aureus
CHEMBL352
 IC50 4.67 4.5475 21310.0 4
Bacillus cereus
CHEMBL613070
 IC50 4.66 4.66 21830.0 1
Enterococcus faecalis
CHEMBL362
 IC50 4.65 4.65 22600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 870.0 nM 6.06 Antiplasmodial activity against chloroquine-susceptible Plasmodium falciparum 3D... 20462236
Plasmodium falciparum IC50 = 1400.0 nM 5.85 Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... 20462236
HEK293 IC50 = 11000.0 nM 4.96 Cytotoxicity against human HEK293 cells after 72 hrs by Alamar blue assay 20462236
Staphylococcus aureus IC50 = 21310.0 nM 4.67 Antibacterial activity against methicillin-resistant Staphylococcus aureus MW2 a... 23891184
Bacillus cereus IC50 = 21830.0 nM 4.66 Antibacterial activity against Bacillus cereus NCTC 7464 after 20 to 24 hrs by t... 23891184
Staphylococcus aureus IC50 = 21850.0 nM 4.66 Antibacterial activity against Staphylococcus aureus NCTC 6571 after 20 to 24 hr... 23891184
Enterococcus faecalis IC50 = 22600.0 nM 4.65 Antibacterial activity against Enterococcus faecalis NCTC 775 after 20 to 24 hrs... 23891184
Staphylococcus aureus IC50 = 34490.0 nM 4.46 Antibacterial activity against Staphylococcus aureus 1H after 20 to 24 hrs by tw... 23891184
Staphylococcus aureus IC50 = 40030.0 nM 4.4 Antibacterial activity against methicillin-resistant Staphylococcus aureus USA-3... 23891184

Literature References

PubMed DOI Target Context # Activities
23891184 10.1016/j.bmcl.2013.06.082 Staphylococcus aureus 17
23891184 10.1016/j.bmcl.2013.06.082 Bacillus cereus 3
23891184 10.1016/j.bmcl.2013.06.082 Enterococcus faecalis 3
20462236 10.1021/np900834g Plasmodium falciparum 2
20462236 10.1021/np900834g HEK293 1

Data from ChEMBL 36 via Core Engine