Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1HTO2X0SJ9

Structure

InChI Key WONYMNWUJVKVII-UHFFFAOYSA-N
Smile O=C(O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
InChI
InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12I2O4
Molecular Weight 510.07
AlogP 4.41
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 66.76
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other nuclear protein
- 32000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 2 D006333 ClinicalTrials
Hypercholesterolemia 1 D006937 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 134267
ChEMBL CHEMBL2348292
DrugBank DB12629
EPA CompTox DTXSID8040939
FDA SRS 1HTO2X0SJ9
PubChem 160565
SureChEMBL SCHEMBL1501771
ZINC ZINC000003972069