UCSF

ZINC27562499

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 23 Yes

Popular Name: N-(5-imidazol-1-ylpentyl)-4-(trifluoromethyl)benzamide N-(5-imidazol-1-ylpentyl)-4-(tri…

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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) 2.75 9.5 -15.18 1 4 0 47 325.334 8 ↓
Mid Mid (pH 6-8) 2.75 9.98 -42.82 2 4 1 48 326.342 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
THAS-1-E Thromboxane-A Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 700 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
THAS_RAT P49430 Thromboxane-A Synthase, Rat 700 0.37 Binding ≤ 1μM
THAS_RAT P49430 Thromboxane-A Synthase, Rat 700 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Eicosanoids
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)

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

No pre-computed analogs available. Try a structural similarity search.