UCSF

ZINC03805768

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 34 Yes

Popular Name: Ivabradine hydrochloride Ivabradine hydrochloride

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CAS Numbers: 148849-67-6 , 155974-00-8 , [155974-00-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.59 11.76 -56.09 1 7 1 62 469.602 10 ↓

Vendor Notes

Note Type Comments Provided By
Target Adrenergic Receptor Selleck Chemicals
mechanism Blocking this channel reduces cardiac pacemaker activity, slowing the heart rate and allowing more time for blood to flow to the myocardium. IBScreen Bioactives
mechanism Selectively inhibits the pacemaker I(f) current in a dose-dependent manner. IBScreen Bioactives
biological_use Used for the symptomatic management of stable angina pectoris. IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCN1-1-E Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4500 0.22 Binding ≤ 10μM
HCN2-1-E Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4520 0.22 Binding ≤ 10μM
HCN4-1-E Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 4280 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCN1_MOUSE O88704 Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 1, Mouse 4500 0.22 Binding ≤ 10μM
HCN2_MOUSE O88703 Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 2, Mouse 4520 0.22 Binding ≤ 10μM
HCN4_HUMAN Q9Y3Q4 Potassium/sodium Hyperpolarization-activated Cyclic Nucleotide-gated Channel 4, Human 4280 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
HCN channels

Analogs ( Draw Identity 99% 90% 80% 70% )