IVABRADINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C01EB17
UNII 3H48L0LPZQ
EPA CompTox DTXSID2048240

Structure

InChI Key ACRHBAYQBXXRTO-OAQYLSRUSA-N
Smiles COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2
InChI
InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H36N2O5
Molecular Weight 468.59
AlogP 3.31
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 10.0
Polar Surface Area 60.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 blocker BLOCKER DailyMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Cyclic nucleotide-regulated channel
- - - - 47-49
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 49
Mus musculus
- - - - 47

Target Conservation

Protein: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Description: Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Organism : Homo sapiens
Q9Y3Q4 ENSG00000138622

Related Entries

Cross References

Resources Reference
ChEBI 85966
ChEMBL CHEMBL471737
DrugBank DB09083
DrugCentral 3312
FDA SRS 3H48L0LPZQ
Guide to Pharmacology 2357
PharmGKB PA166123415
PubChem 132999
SureChEMBL SCHEMBL23472
ZINC ZINC000003805768
CONTENTS