UCSF

ZINC13733890

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 Yes

Popular Name: PD-85639 PD-85639

Find On: PubMed — Wikipedia — Google

CAS Number: 150034-24-5

Other Names:

DNC011835

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) 4.48 12.18 -38.1 2 3 1 34 365.541 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P97706-1-E Sodium Channel Protein Type VI Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 46 0.38 Binding ≤ 10μM
SCN1A-1-E Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 260 0.34 Binding ≤ 10μM
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2700 0.29 Binding ≤ 10μM
SCN3A-1-E Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 260 0.34 Binding ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 46 0.38 Binding ≤ 10μM
SCN8A-1-E Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 260 0.34 Binding ≤ 10μM
P97706-1-E Sodium Channel Protein Type VI Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.27 Functional ≤ 10μM
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 3), Eukaryotic Eukaryotes 2700 0.29 Functional ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.27 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 5000 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCN1A_RAT P04774 Sodium Channel Protein Type I Alpha Subunit, Rat 260 0.34 Binding ≤ 1μM
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 260 0.34 Binding ≤ 1μM
SCN3A_RAT P08104 Sodium Channel Protein Type III Alpha Subunit, Rat 260 0.34 Binding ≤ 1μM
SCN5A_RAT P15389 Sodium Channel Protein Type V Alpha Subunit, Rat 46 0.38 Binding ≤ 1μM
P97706_RAT P97706 Sodium Channel Protein Type VI Alpha Subunit, Rat 46 0.38 Binding ≤ 1μM
SCN8A_RAT O88420 Sodium Channel Protein Type VIII Alpha Subunit, Rat 260 0.34 Binding ≤ 1μM
SCN1A_RAT P04774 Sodium Channel Protein Type I Alpha Subunit, Rat 260 0.34 Binding ≤ 10μM
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 260 0.34 Binding ≤ 10μM
SCN3A_RAT P08104 Sodium Channel Protein Type III Alpha Subunit, Rat 260 0.34 Binding ≤ 10μM
SCN5A_RAT P15389 Sodium Channel Protein Type V Alpha Subunit, Rat 46 0.38 Binding ≤ 10μM
P97706_RAT P97706 Sodium Channel Protein Type VI Alpha Subunit, Rat 46 0.38 Binding ≤ 10μM
SCN8A_RAT O88420 Sodium Channel Protein Type VIII Alpha Subunit, Rat 260 0.34 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 5000 0.27 Functional ≤ 10μM
SCN2A_RAT P04775 Sodium Channel Protein Type II Alpha Subunit, Rat 2700 0.29 Functional ≤ 10μM
SCN5A_RAT P15389 Sodium Channel Protein Type V Alpha Subunit, Rat 5000 0.27 Functional ≤ 10μM
P97706_RAT P97706 Sodium Channel Protein Type VI Alpha Subunit, Rat 5000 0.27 Functional ≤ 10μM

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