UCSF

ZINC01535717

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 39 No

Popular Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-[(5-phenyl-2-pyridyl)methoxy]indol-2-yl]-2,2-dimethyl-propa 3-[1-[(4-chlorophenyl)methyl]-3-…

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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) 8.12 2.25 -50.61 0 5 -1 67 538.067 9 ↓

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 9 0.29 Binding ≤ 10μM
LOX5-1-E Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic Eukaryotes 700 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AL5AP_HUMAN P20292 5-lipoxygenase Activating Protein, Human 9.3 0.29 Binding ≤ 1μM
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 700 0.22 Binding ≤ 1μM
AL5AP_HUMAN P20292 5-lipoxygenase Activating Protein, Human 9.3 0.29 Binding ≤ 10μM
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 700 0.22 Binding ≤ 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% )