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

CHEMBL2296848

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(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2296848
Phase Preclinical
Structure Type MOL
InChI Key HXYNMVMCEAQBTC-VMPITWQZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.76
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19FO5
MW 346.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.36

Activity Summary

IC50 2 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HCT-15
CHEMBL612263
 IC50 7.14 7.14 72.2 1
A549
CHEMBL392
 IC50 6.69 6.69 202.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HCT-15 IC50 = 72.2 nM 7.14 Cytotoxicity against Homo sapiens (human) HCT15 cells assessed as cell viability... -
A549 IC50 = 202.2 nM 6.69 Cytotoxicity against Homo sapiens (human) A549 cells assessed as cell viability ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-013-0520-9 HCT-15 1
- 10.1007/s00044-013-0520-9 A549 1
- 10.1007/s00044-013-0520-9 HeLa 1

Data from ChEMBL 36 via Core Engine