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

CHEMBL4796769

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
COc1ccc([C@H]2Oc3ccc(/C=C/C(=O)OC(C)(C)C)cc3[C@@H]2CF)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796769
Phase Preclinical
Structure Type MOL
InChI Key XSEIXQXMZKBBJB-MQGMTEFWSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
5.25
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27FO5
MW 414.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.81

Activity Summary

IC50 2 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania donovani
CHEMBL367
 IC50 4.89 4.89 13000.0 1
L6
CHEMBL614793
 IC50 4.47 4.47 34000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania donovani IC50 = 13000.0 nM 4.89 Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 amastigotes ... 32745819
L6 IC50 = 34000.0 nM 4.47 Cytotoxicity against rat L6 cells assessed as reduction in cell viability incuba... 32745819

Literature References

PubMed DOI Target Context # Activities
32745819 10.1016/j.ejmech.2020.112493 Leishmania donovani 1
32745819 10.1016/j.ejmech.2020.112493 L6 1
32745819 10.1016/j.ejmech.2020.112493 Unchecked 1

Data from ChEMBL 36 via Core Engine