UCSF

ZINC22034381

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 36 Yes

Popular Name: Lidoflazine Lidoflazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3416-26-0 , [3416-26-0]

Download: MOL2 SDF SMILES Flexibase

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) 5.33 15.19 -49.33 2 4 1 37 492.634 9 ↓
Hi High (pH 8-9.5) 5.33 12.89 -12.84 1 4 0 36 491.626 9 ↓
Hi High (pH 8-9.5) 2.13 8.03 -14.25 1 4 0 45 231.299 2 ↓
Mid Mid (pH 6-8) 5.33 15.1 -47.8 2 4 1 37 492.634 9 ↓

Vendor Notes

Note Type Comments Provided By
therap calcium channel blocker, anti-anginal MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-5-E HERG (cluster #5 Of 5), Eukaryotic Eukaryotes 16 0.30 Binding ≤ 10μM
S29A1-1-E Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4954 0.21 Binding ≤ 10μM
SCN1A-1-E Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 77 0.28 Binding ≤ 10μM
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 77 0.28 Binding ≤ 10μM
SCN3A-1-E Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 77 0.28 Binding ≤ 10μM
SCN8A-1-E Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 77 0.28 Binding ≤ 10μM
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 2400 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S29A1_HUMAN Q99808 Equilibrative Nucleoside Transporter 1, Human 279.9 0.25 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 15.8489319 0.30 Binding ≤ 1μM
SCN1A_RAT P04774 Sodium Channel Protein Type I Alpha Subunit, Rat 77 0.28 Binding ≤ 1μM
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 77 0.28 Binding ≤ 1μM
SCN3A_RAT P08104 Sodium Channel Protein Type III Alpha Subunit, Rat 77 0.28 Binding ≤ 1μM
SCN8A_RAT O88420 Sodium Channel Protein Type VIII Alpha Subunit, Rat 77 0.28 Binding ≤ 1μM
S29A1_HUMAN Q99808 Equilibrative Nucleoside Transporter 1, Human 279.9 0.25 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 15.8489319 0.30 Binding ≤ 10μM
SCN1A_RAT P04774 Sodium Channel Protein Type I Alpha Subunit, Rat 77 0.28 Binding ≤ 10μM
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 77 0.28 Binding ≤ 10μM
SCN3A_RAT P08104 Sodium Channel Protein Type III Alpha Subunit, Rat 77 0.28 Binding ≤ 10μM
SCN8A_RAT O88420 Sodium Channel Protein Type VIII Alpha Subunit, Rat 77 0.28 Binding ≤ 10μM
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 2400 0.22 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Transport of nucleosides and free purine and pyrimidine bases across the plasma
Voltage gated Potassium channels

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