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

CHEMBL56361

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
O=C(O)c1ccc(CNc2ccc3c(/C=C/c4cccc(C(F)(F)F)c4)cccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56361
Phase Preclinical
Structure Type MOL
InChI Key MSJLRXFOVGIHPD-JXMROGBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
7.34
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20F3NO2
MW 447.46
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 8.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Capsid scaffolding protein
CHEMBL3771
 IC50 8.16 8.16 6.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Capsid scaffolding protein IC50 = 6.9 nM 8.16 Inhibitory concentration against HCMV protease. 15055990

Literature References

PubMed DOI Target Context # Activities
15055990 10.1021/jm030540h Capsid scaffolding protein 1

Data from ChEMBL 36 via Core Engine