IVABRADINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C01EB17
UNII: 3H48L0LPZQ

Structure
InChI Key ACRHBAYQBXXRTO-OAQYLSRUSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 60.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 blocker DailyMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Cyclic nucleotide-regulated channel
4280 - - - 47

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypotension, Orthostatic 3 D007024 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Aging 3 D000375 ClinicalTrials
Angina, Stable 3 D060050 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Diabetic Nephropathies 3 D003928 ClinicalTrials
Mitral Valve Stenosis 3 D008946 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Tachycardia 3 D013610 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Non-ST Elevated Myocardial Infarction 2 D000072658 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Heart Failure, Diastolic 2 D054144 ClinicalTrials
Heart Failure, Systolic 2 D054143 ClinicalTrials
Multiple Organ Failure 2 D009102 ClinicalTrials
Hypotension 2 D007022 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 155974-00-8
ChEBI 85966
ChEMBL CHEMBL471737
DrugBank DB09083
DrugCentral 3312
EPA CompTox DTXSID2048240
FDA SRS 3H48L0LPZQ
Guide to Pharmacology 2357
PharmGKB PA166123415
PubChem 132999
SureChEMBL SCHEMBL23472
ZINC ZINC000003805768
CONTENTS