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

CHEMBL2041109

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
NN1CCN(NC2=C(Br)C(=O)c3ncccc3C2=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2041109
Phase Preclinical
Structure Type MOL
InChI Key ZWBKUUJWIFRXPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.2
MW (Da)
0.06
ALogP
7
HBA
2
HBD
91.6
PSA (Ų)
0.73
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 C13H14BrN5O2
MW 352.19
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
22781704 10.1016/j.ejmech.2012.06.046 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine