UCSF

ZINC04352741

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 24 Yes

Popular Name: 1-Trityl-1H-imidazole 1-Trityl-1H-imidazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15469-97-3 , [15469-97-3]

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) 4.84 2.87 -5.99 0 2 0 17 310.4 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 220-224? Alfa-Aesar
Melting_Point 220-224° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5643878 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-1-E Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.50 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 11 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 3 0.50 Binding ≤ 1μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 11 0.46 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 3 0.50 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 11 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Endogenous sterols
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis

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