UCSF

ZINC03871092

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 20 No

Popular Name: 5-(N-Ethyl-N-Isopropyl)Amiloride 5-(N-Ethyl-N-Isopropyl)Amiloride

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CAS Numbers: 1154-25-2 , 134672-02-9

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) 0.29 1.45 -9.55 6 8 0 137 299.766 4 ↓
Hi High (pH 8-9.5) 0.29 1.84 -39.94 5 8 -1 134 298.758 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9W6Q1-1-E Sodium/hydrogen Exchanger (cluster #1 Of 1), Eukaryotic Eukaryotes 8700 0.35 Binding ≤ 10μM
SL9A1-1-E Sodium/hydrogen Exchanger 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.43 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 6310 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SL9A1_HUMAN P19634 Sodium/hydrogen Exchanger 1, Human 800 0.43 Binding ≤ 1μM
Q9W6Q1_9SALA Q9W6Q1 Sodium/hydrogen Exchanger, 9sala 8700 0.35 Binding ≤ 10μM
SL9A1_HUMAN P19634 Sodium/hydrogen Exchanger 1, Human 800 0.43 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hyaluronan uptake and degradation
Sodium/Proton exchangers

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