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Compound Detail

CHEMBL285648

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O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(O)cccc21

Basic Information

ChEMBL ID CHEMBL285648
Phase Preclinical
Structure Type MOL
InChI Key MXVUWHQJTZQQQL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
0.61
ALogP
5
HBA
1
HBD
60.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O3
MW 256.26
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.43

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1600.0 nM 5.8 In vitro antimalarial activity against human malaria parasite, P falciparum (Vie... 2033589

Literature References

PubMed DOI Target Context # Activities
2738880 10.1021/jm00127a012 Mus musculus 9
2033589 10.1021/jm00109a016 Unchecked 1

Data from ChEMBL 36 via Core Engine