Synonyms
Status
Molecule Category Free-form
ATC C01DX04
UNII 75CL65GTYR
EPA CompTox DTXSID1046134

Structure

InChI Key CZCHIEJNWPNBDE-UHFFFAOYSA-N
Smiles CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
InChI
InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H12I2O3
Molecular Weight 518.09
AlogP 5.14
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 50.44
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Calmodulin inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PubMed

Related Entries

Cross References

Resources Reference
ChEBI 135814
ChEMBL CHEMBL232201
DrugBank DB13277
DrugCentral 321
FDA SRS 75CL65GTYR
PubChem 6237
SureChEMBL SCHEMBL308541
ZINC ZINC000003875456