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

CHEMBL267426

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
CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCN(C)C)cc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267426
Phase Preclinical
Structure Type MOL
InChI Key ZQKGNQXYRKJVBC-DQSJHHFOSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

525.5
MW (Da)
7.38
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32INO
MW 525.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.64

Activity Summary

IC50 2 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.89 5.89 1300.0 1
Phosphodiesterase 1
CHEMBL2095150
 IC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1300.0 nM 5.89 Inhibition of calmodulin-dependent Phosphodiesterase 7830266
Phosphodiesterase 1 IC50 = 2200.0 nM 5.66 Inhibitory activity against calmodulin-dependent Phosphodiesterase was reported. 8632423

Literature References

PubMed DOI Target Context # Activities
8632423 10.1021/jm9505472 Phosphodiesterase 1 2
8632423 10.1021/jm9505472 Estrogen receptor 1
7830266 10.1021/jm00002a005 Unchecked 1
7830266 10.1021/jm00002a005 Estrogen receptor 1
7830266 10.1021/jm00002a005 MCF7 1

Data from ChEMBL 36 via Core Engine