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Compound Detail

CHEMBL449890

MANSONONE A
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CC1=CC2=C(C(=O)C1=O)C(C)CCC2C(C)C

Basic Information

ChEMBL ID CHEMBL449890
Name MANSONONE A
Phase Preclinical
Structure Type MOL
InChI Key DXGOWNAYXJKDFJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
3.08
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O2
MW 232.32
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.68

Activity Summary

IC50 2 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leptomonas seymouri
CHEMBL612917
IC50 5.07 5.07 8500.0 1
Crithidia fasciculata
CHEMBL612650
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18276039 10.1016/j.ejmech.2007.12.023 No relevant target 2
18276039 10.1016/j.ejmech.2007.12.023 Leptomonas seymouri 1
18276039 10.1016/j.ejmech.2007.12.023 Crithidia fasciculata 1

Data from ChEMBL 36 via Core Engine