Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1807631

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1

Basic Information

ChEMBL ID CHEMBL1807631
Phase Preclinical
Structure Type MOL
InChI Key YOVWMEGMFRDREP-OEPMCUGXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
2.57
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N2O
MW 270.38
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.13

Activity Summary

IC50 1 meas. best 4.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.73 4.73 18590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 18590.0 nM 4.73 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