UCSF

ZINC34802882

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 43 No

Popular Name: N-[2-(dibutylamino)ethyl]-N-[[4-[4-(dimethylcarbamoyl)phenyl]phenyl]methyl]-4-pentyl-benzamide N-[2-(dibutylamino)ethyl]-N-[[4-…

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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) 8.29 21.21 -61.43 1 5 1 45 584.869 18 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 77 0.23 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 859 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLM2_PLAFA P46925 Plasmepsin 2, Plafa 77 0.23 Binding ≤ 1μM
PLM2_PLAFA P46925 Plasmepsin 2, Plafa 77 0.23 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 859 0.20 Functional ≤ 10μM

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