Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A07DA01
UNII: 73312P173G

Structure

InChI Key HYPPXZBJBPSRLK-UHFFFAOYSA-N
Smile CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChI
InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H32N2O2
Molecular Weight 452.6
AlogP 5.48
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 53.33
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 5000 - - -

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4639
ChEMBL CHEMBL1201294
DrugBank DB01081
DrugCentral 918
EPA CompTox DTXSID8022951
FDA SRS 73312P173G
Human Metabolome Database HMDB0015213
Guide to Pharmacology 7164
KEGG C07872
PharmGKB PA164746539
PubChem 13505
SureChEMBL SCHEMBL42940
ZINC ZINC000003830716