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

CHEMBL508526

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(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1F

Basic Information

ChEMBL ID CHEMBL508526
Phase Preclinical
Structure Type MOL
InChI Key DQHARHQBVRLSQS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.2
MW (Da)
4.52
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3IN2O2
MW 462.21
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1.0 nM 9.0 Inhibition of MEK-stimulated ERK phosphorylation in PDGF-stimulated mouse C26 ce... 18952427

Literature References

PubMed DOI Target Context # Activities
18952427 10.1016/j.bmcl.2008.10.054 Unchecked 1
18952427 10.1016/j.bmcl.2008.10.054 No relevant target 1

Data from ChEMBL 36 via Core Engine