UCSF

ZINC34884344

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 29 Yes

Popular Name: 5-(4-chlorophenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridyl]methyl]pyridine-3-carboxamide 5-(4-chlorophenyl)-N-[[2-(2,2,2-…

Find On: PubMed — Wikipedia — Google

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) 3.95 6.94 -11.69 1 5 0 64 421.806 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2800 0.27 Binding ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 4700 0.26 Binding ≤ 10μM
SCNAA-1-E Sodium Channel Protein Type X Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCNAA_MOUSE Q6QIY3 Sodium Channel Protein Type 10 Subunit Alpha, Mouse 87 0.34 Binding ≤ 1μM
SCNAA_HUMAN Q9Y5Y9 Sodium Channel Protein Type X Alpha Subunit, Human 3 0.41 Binding ≤ 1μM
SCNAA_RAT Q62968 Sodium Channel Protein Type X Alpha Subunit, Rat 28 0.36 Binding ≤ 1μM
SCNAA_MOUSE Q6QIY3 Sodium Channel Protein Type 10 Subunit Alpha, Mouse 87 0.34 Binding ≤ 10μM
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 2800 0.27 Binding ≤ 10μM
SCN5A_HUMAN Q14524 Sodium Channel Protein Type V Alpha Subunit, Human 4700 0.26 Binding ≤ 10μM
SCNAA_HUMAN Q9Y5Y9 Sodium Channel Protein Type X Alpha Subunit, Human 3 0.41 Binding ≤ 10μM
SCNAA_RAT Q62968 Sodium Channel Protein Type X Alpha Subunit, Rat 28 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Interaction between L1 and Ankyrins

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