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

CHEMBL1644654

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
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(F)c(F)c1

Basic Information

ChEMBL ID CHEMBL1644654
Phase Preclinical
Structure Type MOL
InChI Key SNYHHDUHHKZSAU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
5.57
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.72
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F2NO
MW 343.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.19

Activity Summary

IC50 2 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L6
CHEMBL614793
IC50 4.05 4.05 90000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L6 IC50 = 90000.0 nM 4.05 Cytotoxicity against rat L6 cells after 70 hrs by alamar blue assay 21112788

Literature References

PubMed DOI Target Context # Activities
21112788 10.1016/j.bmc.2010.11.003 Trypanosoma brucei rhodesiense 3
21112788 10.1016/j.bmc.2010.11.003 Trypanosoma brucei 1
21112788 10.1016/j.bmc.2010.11.003 L6 1

Data from ChEMBL 36 via Core Engine