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

CHEMBL267154

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
C(=C1/CCCN(c2ccc(C3=NCCN3)cc2)C1)\c1ccc(C2=NCCN2)cc1

Basic Information

ChEMBL ID CHEMBL267154
Phase Preclinical
Structure Type MOL
InChI Key YYVFIGGEWQGLMO-MNDPQUGUSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
3.07
ALogP
5
HBA
2
HBD
52.0
PSA (Ų)
0.85
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 C24H27N5
MW 385.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.60

Activity Summary

IC50 4 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei
CHEMBL612849
IC50 7.15 7.1033 71.0 3
Mus musculus
CHEMBL375
IC50 7.06 7.06 88.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12620080 10.1021/jm020375q Trypanosoma brucei 3
12620080 10.1021/jm020375q Mus musculus 1
12620080 10.1021/jm020375q Calf thymus DNA 1
12620080 10.1021/jm020375q Nucleic Acid 1

Data from ChEMBL 36 via Core Engine