UCSF

ZINC01535731

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 41 No

Popular Name: 3-[1-[(4-chlorophenyl)methyl]-5-(3-isoquinolylmethoxy)-3-tert-butylsulfanyl-indol-2-yl]-2,2-dimethyl 3-[1-[(4-chlorophenyl)methyl]-5-…

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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) 9.07 2.03 -52.97 0 5 -1 67 586.177 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AL5AP-1-E 5-lipoxygenase Activating Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.27 Binding ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 3 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AL5AP_HUMAN P20292 5-lipoxygenase Activating Protein, Human 10 0.27 Binding ≤ 1μM
AL5AP_HUMAN P20292 5-lipoxygenase Activating Protein, Human 10 0.27 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 3 0.29 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of 5-eicosatetraenoic acids
Synthesis of Leukotrienes (LT) and Eoxins (EX)
Synthesis of Lipoxins (LX)

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