UCSF

ZINC14254633

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 45 No

Popular Name: (2R)-7-[3-[4-(2-benzylsulfanyl-1H-imidazol-4-yl)-3-methoxy-2-propyl-phenoxy]propoxy]-8-propyl-chroma (2R)-7-[3-[4-(2-benzylsulfanyl-1…

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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) 8.30 19.1 -61.68 1 8 -1 106 629.799 16 ↓
Mid Mid (pH 6-8) 8.30 19.49 -79.62 2 8 0 107 630.807 16 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LT4R1-1-E Leukotriene B4 Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 750 0.19 Binding ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 430 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LT4R1_HUMAN Q15722 Leukotriene B4 Receptor 1, Human 750 0.19 Binding ≤ 1μM
LT4R1_HUMAN Q15722 Leukotriene B4 Receptor 1, Human 750 0.19 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 430 0.20 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Leukotriene receptors

Rings

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