Structure

InChI Key HLUKNZUABFFNQS-ZMBIFBSDSA-N
Smiles COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl
InChI
InChI=1S/C27H36N2O5.ClH/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;1H/t21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H37ClN2O5
Molecular Weight 505.06
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 PubMed DailyMed

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

Cross References

Resources Reference
ChEBI 85969
ChEMBL CHEMBL2145077
FDA SRS TP19837BZK
PubChem 3045381
SureChEMBL SCHEMBL23470