UCSF

ZINC06004455

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 43 No

Popular Name: N-(6-chloro-2-methoxy-acridin-9-yl)-N'-[3-(6-chloro-2-methoxy-acridin-9-yl)aminopropyl]propane-1,3-d N-(6-chloro-2-methoxy-acridin-9-…

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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) 8.15 -4.98 -149.34 6 7 3 87 617.601 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50420-1-O Trypanosoma Brucei Brucei (cluster #1 Of 7), Other Other 1 0.29 Functional ≤ 10μM
Z50422-3-O Entamoeba Histolytica (cluster #3 Of 5), Other Other 5000 0.17 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 55 0.24 Functional ≤ 10μM
Z80156-2-O HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 4), Other Other 244 0.22 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 5000 0.17 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 127 0.22 Functional ≤ 10μM
Z50420 Z50420 Trypanosoma Brucei Brucei 1.1 0.29 Functional ≤ 10μM
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 244 0.22 ADME/T ≤ 10μM

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