UCSF

ZINC00998178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 19 Yes

Popular Name: (4-imidazol-1-ylphenyl)-phenyl-methanone (4-imidazol-1-ylphenyl)-phenyl-m…

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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) 2.72 10.12 -10.67 0 3 0 35 248.285 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP4AA-1-E Cytochrome P450 4A1 (cluster #1 Of 2), Eukaryotic Eukaryotes 310 0.48 Binding ≤ 10μM
CP4AE-1-E Cytochrome P450 4A3 (cluster #1 Of 2), Eukaryotic Eukaryotes 310 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP4AA_RAT P08516 Cytochrome P450 4A1, Rat 310 0.48 Binding ≤ 1μM
CP4AE_RAT P20817 Cytochrome P450 4A3, Rat 310 0.48 Binding ≤ 1μM
CP4AA_RAT P08516 Cytochrome P450 4A1, Rat 310 0.48 Binding ≤ 10μM
CP4AE_RAT P20817 Cytochrome P450 4A3, Rat 310 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Fatty acids
PPARA activates gene expression
Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE)

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

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