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Compound Detail

CHEMBL362672

MANSONONE E
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CC1=C2OCC(C)c3ccc(C)c(c32)C(=O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL362672
Name MANSONONE E
Phase Preclinical
Structure Type MOL
InChI Key SYWTYRLIJCHSLJ-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
2.63
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14O3
MW 242.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.98

Activity Summary

IC50 9 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leptomonas seymouri
CHEMBL612917
 IC50 6.4 6.4 400.0 1
Crithidia fasciculata
CHEMBL612650
 IC50 6.22 6.22 600.0 1
Coxsackievirus
CHEMBL613750
 IC50 5.33 5.33 4700.0 1
HL-60
CHEMBL383
 IC50 4.97 4.97 10630.0 1
K562
CHEMBL385
 IC50 4.91 4.91 12230.0 1
HeLa
CHEMBL399
 IC50 4.8 4.8 15720.0 1
A549
CHEMBL392
 IC50 4.76 4.76 17510.0 1
DNA topoisomerase 2-alpha
CHEMBL1806
 IC50 4.73 4.73 18600.0 1
Liver microsomes
CHEMBL613694
 IC50 4.34 4.34 45700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leptomonas seymouri IC50 = 400.0 nM 6.4 Antitrypanosomal activity against Leptomonas seymouri 18276039
Crithidia fasciculata IC50 = 600.0 nM 6.22 Antitrypanosomal activity against Crithidia fasciculata 18276039
Coxsackievirus IC50 = 4700.0 nM 5.33 Antiviral activity against Coxsackievirus B3 infected in african green monkey Ve... 23734721
HL-60 IC50 = 10630.0 nM 4.97 Cytotoxicity against human HL60 cells after 48 hrs by MTT assay 23968711
K562 IC50 = 12230.0 nM 4.91 Cytotoxicity against human K562 cells after 48 hrs by MTT assay 23968711
HeLa IC50 = 15720.0 nM 4.8 Cytotoxicity against human HeLa cells after 48 hrs by MTT assay 23968711
A549 IC50 = 17510.0 nM 4.76 Cytotoxicity against human A549 cells after 48 hrs by MTT assay 23968711
DNA topoisomerase 2-alpha IC50 = 18600.0 nM 4.73 Inhibition of human DNA topoisomerase 2alpha using pBR322 DNA after 30 mins by a... 23968711
Liver microsomes IC50 = 45700.0 nM 4.34 Antioxidant activity in rat liver microsome assessed as inhibition of Fe2+-cyste... 23734721

Literature References

PubMed DOI Target Context # Activities
18276039 10.1016/j.ejmech.2007.12.023 No relevant target 2
27680587 10.1016/j.bmcl.2016.09.044 Streptococcus mutans 2
27680587 10.1016/j.bmcl.2016.09.044 Staphylococcus aureus 2
27680587 10.1016/j.bmcl.2016.09.044 Streptococcus sobrinus 2
27680587 10.1016/j.bmcl.2016.09.044 Cutibacterium acnes 2
27680587 10.1016/j.bmcl.2016.09.044 Salmonella typhi 2
15357984 10.1016/j.bmcl.2004.06.039 Staphylococcus aureus 2
18553924 10.1021/np800055q HeLa 1
18553924 10.1021/np800055q KB 1
18553924 10.1021/np800055q Bacillus subtilis 1
18553924 10.1021/np800055q MCF7 1
23734721 10.1021/np4000747 HCT-8 1
23734721 10.1021/np4000747 BGC-823 1
23734721 10.1021/np4000747 Bel-7402 1
23734721 10.1021/np4000747 A549 1
23734721 10.1021/np4000747 Liver microsomes 1
23734721 10.1021/np4000747 Coxsackievirus 1
18276039 10.1016/j.ejmech.2007.12.023 Crithidia fasciculata 1
23968711 10.1016/j.ejmech.2013.07.011 K562 1
23968711 10.1016/j.ejmech.2013.07.011 HL-60 1

Data from ChEMBL 36 via Core Engine