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Compound Detail

CHEMBL490129

SANGUINARIUM CHLORIDE
🧪 Phase II
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🧪 Phase II
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490129
Name SANGUINARIUM CHLORIDE
Phase Phase II
Structure Type MOL
InChI Key GIZKAXHWLRYMLE-UHFFFAOYSA-M
Parent Compound CHEMBL417799
Active Moiety CHEMBL417799

Known Names

Chlorure de sanguinarium Cloruro de sanguinario Sanguinarine chloride Sanguinarium chloride Viadent
8
Targets
18
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

332.3
MW (Da)
3.43
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -ium
USAN Year 1992

Extended Properties

Molecular Formula C20H14ClNO4
MW 367.79
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness 1.06

Activity Summary

IC50 17 meas. best 5.88
Kd 1 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Regulator of G-protein signaling 17
CHEMBL4295974
 Kd 5.99 5.99 1020.0 1
NCI-H1975
CHEMBL614348
 IC50 5.88 5.88 1320.0 1
Regulator of G-protein signaling 17
CHEMBL4295974
 IC50 5.86 5.38 1386.0 2
A549
CHEMBL392
 IC50 5.8 5.8 1590.0 1
HeLa
CHEMBL399
 IC50 5.61 5.61 2430.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.6 5.4571 2511.9 7
Ras-related C3 botulinum toxin substrate 1
CHEMBL6094
 IC50 5.34 4.79 4600.0 2
Unchecked
CHEMBL612545
 IC50 5.31 5.31 4900.0 1
Cell division control protein 42 homolog
CHEMBL6088
 IC50 4.5 4.5 32000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Regulator of G-protein signaling 17 Kd = 1020.0 nM 5.99 Binding affinity to RGS17 (unknown origin) by ITC assay -
NCI-H1975 IC50 = 1320.0 nM 5.88 Antiproliferative activity against human H1975 cells assessed as inhibition of c... 33479636
Regulator of G-protein signaling 17 IC50 = 1386.0 nM 5.86 Inhibition of RGS17 (unknown origin) assessed as reduction in RGS17 interaction ... -
A549 IC50 = 1590.0 nM 5.8 Antiproliferative activity against human A549 cells assessed as inhibition of ce... 33479636
HeLa IC50 = 2430.0 nM 5.61 Antiproliferative activity against human HeLa cells assessed as reduction in cel... 33479636
Plasmodium falciparum IC50 = 2511.89 nM 5.6 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 2511.89 nM 5.6 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 3162.28 nM 5.5 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 3162.28 nM 5.5 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 3981.07 nM 5.4 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 3981.07 nM 5.4 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Ras-related C3 botulinum toxin substrate 1 IC50 = 4600.0 nM 5.34 Inhibition of Rac1b GTPase activity assessed as incorporation of BODIPY-GTP afte... 19716293
Unchecked IC50 = 4900.0 nM 5.31 Inhibition of Mycobacterium tuberculosis PptT expressed in Escherichia coli incu... 35044775
Plasmodium falciparum IC50 = 6309.57 nM 5.2 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Regulator of G-protein signaling 17 IC50 = 12520.0 nM 4.9 Inhibition of RGS17 (unknown origin) in presence of and ATP Galpha-o by Malachit... -
Cell division control protein 42 homolog IC50 = 32000.0 nM 4.5 Inhibition of Cdc42 GTPase activity assessed as incorporation of BODIPY-GTP afte... 19716293
Ras-related C3 botulinum toxin substrate 1 IC50 = 58000.0 nM 4.24 Inhibition of Rac1 GTPase activity assessed as incorporation of BODIPY-GTP after... 19716293

Literature References

PubMed DOI Target Context # Activities
33964649 10.1016/j.ejmech.2021.113480 Staphylococcus aureus 10
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
33964649 10.1016/j.ejmech.2021.113480 Enterococcus faecalis 4
19716293 10.1016/j.bmcl.2009.08.037 Ras-related C3 botulinum toxin substrate 1 4
33964649 10.1016/j.ejmech.2021.113480 Bacillus subtilis 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 3
29657101 10.1016/j.bmcl.2018.04.015 Staphylococcus aureus 3
33964649 10.1016/j.ejmech.2021.113480 Staphylococcus epidermidis 3
10395504 10.1021/np990005d Mus musculus 3
10395504 10.1021/np990005d P388 3
33964649 10.1016/j.ejmech.2021.113480 Bacillus pumilus 3
23084900 10.1016/j.bmcl.2012.09.097 Enterococcus faecalis 2
23084900 10.1016/j.bmcl.2012.09.097 Staphylococcus aureus 2
19716293 10.1016/j.bmcl.2009.08.037 Cell division control protein 42 homolog 2
19716293 10.1016/j.bmcl.2009.08.037 Unchecked 2
33964649 10.1016/j.ejmech.2021.113480 Streptococcus pyogenes 2
29657101 10.1016/j.bmcl.2018.04.015 Streptococcus pyogenes 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
29657101 10.1016/j.bmcl.2018.04.015 Cell division protein FtsZ 2

Data from ChEMBL 36 via Core Engine