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

CHEMBL1684449

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
CC(C)C1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1684449
Phase Preclinical
Structure Type MOL
InChI Key ZFQGNEPBYGEBMK-UHFFFAOYSA-N
Parent Compound CHEMBL1739491
Active Moiety CHEMBL1739491
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
5.10
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.74
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22Cl2N2
MW 349.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.10

Activity Summary

IC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei
CHEMBL612849
 IC50 5.61 5.61 2450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei IC50 = 2450.0 nM 5.61 Trypanocidal activity against bloodstream form of Trypanosoma brucei 427 after 4... 21315611

Literature References

PubMed DOI Target Context # Activities
21315611 10.1016/j.bmc.2011.01.028 Trypanosoma brucei 2
21315611 10.1016/j.bmc.2011.01.028 L6 1

Data from ChEMBL 36 via Core Engine