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

CHEMBL5277805

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(COc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5277805
Phase Preclinical
Structure Type MOL
InChI Key MNLRUHZKWQUGMG-XCVCLJGOSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.3
MW (Da)
2.61
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14FNO4
MW 315.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.75

Activity Summary

IC50 3 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 6.21 6.21 620.0 1
HCT-116
CHEMBL394
 IC50 6.21 6.21 620.0 1
HepG2
CHEMBL395
 IC50 6.21 6.21 620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 620.0 nM 6.21 Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth by M... 32791404
HepG2 IC50 = 620.0 nM 6.21 Cytotoxicity against human HepG2 cells assessed as inhibition of cell growth by ... 32791404
HCT-116 IC50 = 620.0 nM 6.21 Cytotoxicity against human HCT-116 cells assessed as inhibition of cell growth b... 32791404

Literature References

PubMed DOI Target Context # Activities
32791404 10.1016/j.ejmech.2020.112679 MCF7 1
32791404 10.1016/j.ejmech.2020.112679 HepG2 1
32791404 10.1016/j.ejmech.2020.112679 HCT-116 1

Data from ChEMBL 36 via Core Engine