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

CHEMBL2314229

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
COc1cc(CC(=O)NCCN(C)C)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2314229
Phase Preclinical
Structure Type MOL
InChI Key KOARMFQIQYMPKX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
0.62
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N2O3
MW 252.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.65

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23265884 10.1016/j.bmcl.2012.11.072 L6 1
23265884 10.1016/j.bmcl.2012.11.072 Plasmodium falciparum 1
23265884 10.1016/j.bmcl.2012.11.072 Leishmania donovani 1
23265884 10.1016/j.bmcl.2012.11.072 Trypanosoma cruzi 1
23265884 10.1016/j.bmcl.2012.11.072 Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine