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Compound Detail

CHEMBL293801

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O=C1c2c(O)c(O)c(O)c(O)c2C(=O)c2c(O)c(O)c(O)c(O)c21

Basic Information

ChEMBL ID CHEMBL293801
Phase Preclinical
Structure Type MOL
InChI Key KOWBNNJAGJIIJW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.2
MW (Da)
0.11
ALogP
10
HBA
8
HBD
196.0
PSA (Ų)
0.21
QED
1
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 C14H8O10
MW 336.21
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.66

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.1 6.1 800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 800.0 nM 6.1 In vitro inhibitory activity against Plasmodium falciparum D6 -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00326-O Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine