UCSF

ZINC13453405

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 20 Yes

Popular Name: 6-(3-phenoxypropyl)-2,3-dihydrobenzofuran-5-ol 6-(3-phenoxypropyl)-2,3-dihydrob…

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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) 4.26 6.35 -8.48 1 3 0 39 270.328 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CLTR2-1-E Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 57 0.51 Binding ≤ 10μM
LT4R1-1-E Leukotriene B4 Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 57 0.51 Binding ≤ 10μM
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 57 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CLTR2_HUMAN Q9NS75 Cysteinyl Leukotriene Receptor 2, Human 57 0.51 Binding ≤ 1μM
LT4R1_HUMAN Q15722 Leukotriene B4 Receptor 1, Human 57 0.51 Binding ≤ 1μM
CLTR2_HUMAN Q9NS75 Cysteinyl Leukotriene Receptor 2, Human 57 0.51 Binding ≤ 10μM
LT4R1_HUMAN Q15722 Leukotriene B4 Receptor 1, Human 57 0.51 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 57 0.51 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Leukotriene receptors

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