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Compound Detail

CHEMBL1807625

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[N-]=[N+]=N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1/C=C/c1ccccc1

Basic Information

ChEMBL ID CHEMBL1807625
Phase Preclinical
Structure Type MOL
InChI Key GQINPITUQLAORQ-OEPMCUGXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.79
ALogP
2
HBA
0
HBD
69.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N4O
MW 290.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.07

Activity Summary

IC50 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.99 4.99 10350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 10350.0 nM 4.99 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 21705220

Literature References

PubMed DOI Target Context # Activities
21705220 10.1016/j.bmcl.2011.05.119 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine