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Compound Detail

CHEMBL354660

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CC/C(=C(/c1ccc(I)cc1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL354660
Phase Preclinical
Structure Type MOL
InChI Key ZJRLQCWVKOOKCH-BYYHNAKLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

539.5
MW (Da)
6.84
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30INO2
MW 539.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
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 = 2200.0 nM 5.66 Antagonism of calmodulin dependent cAMP Phosphodiesterase -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00117-C Unchecked 1
- 10.1016/0960-894X(95)00117-C Estrogen receptor 1

Data from ChEMBL 36 via Core Engine