UCSF

ZINC26146871

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 15 No

Popular Name: 1-hydroxy-1-[(1S)-1-thieno[5,4-b]thiophen-2-ylethyl]urea 1-hydroxy-1-[(1S)-1-thieno[5,4-b…

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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) 2.23 1.45 -13.69 3 4 0 67 242.325 2 ↓
Hi High (pH 8-9.5) 2.23 2.13 -42.56 2 4 -1 69 241.317 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-2-E Arachidonate 5-lipoxygenase (cluster #2 Of 7), Eukaryotic Eukaryotes 900 0.56 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 900 0.56 Functional ≤ 10μM
LOX5_HUMAN P09917 Arachidonate 5-lipoxygenase, Human 1200 0.55 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)

Rings

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