| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 24 | Yes |
Popular Name: Bifonazole Bifonazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 60628-96-8 , [60628-96-8]
(+-)-1-(p,alpha-Diphenylbenzyl)imidazole
(+-)1-([1,1'-Biphenyl]-4-ylphenylmethyl)-1H-imidazole
1-((4-Biphenylyl)phenylmethyl)-1H-imidazole
1-(alpha-(4-Biphenylyl)benzyl)imidazole
1-(Biphenyl-4-yl-phenyl-methyl)-1H-imidazole
1-(p,alfa-Diphenylbenzyl)imidazole
1-(p,alpha-Diphenylbenzyl)imidazole
1-[4,alpha-Diphenylbenzyl]-imidazole
1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole
1-[phenyl-(4-phenylphenyl)methyl]imidazole
1H-Imidazole, 1-((1,1'-biphenyl)-4-ylphenylmethyl)-
1H-Imidazole, 1-((1,1'-biphenyl)-4-ylphenylmethyl)-, (+-)-
1H-Imidazole, 1-([1,1'-biphenyl]-4-ylphenylmethyl)-
5-23-04-00292 (Beilstein Handbook Reference)
60628-96-8; Bifonazole (JP16/USAN/INN); D01775; Mycospor (TN)
BIFONAZOLE; CPD000058970; SAM001246775
CPD000058970; BIFONAZOLE; 60628-96-8
CPD000058970; SAM001246775; bifonazole
Dermapharm brand of bifonazole
Imidazole, 1-(alpha-(4-biphenylyl)benzyl)-
| 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) | 4.97 | 15.01 | -36.26 | 1 | 2 | 1 | 19 | 311.408 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.97 | 14.05 | -7.54 | 0 | 2 | 0 | 18 | 310.4 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.45e-03 g/l | DrugBank-approved |
| Target | Antifection | Selleck Chemicals |
| Therapy | antifungal, calmodulin antagonist | SMDC Iconix |
| Indications | athletes foot | KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID | EP0058887A1; EP0149197A2; EP0149197B2; EP0204230A2; EP0204230B1; EP0230226B1; EP0243446A1; EP0243446B1; EP0307599A1; EP0307599B1; EP0315861A1; EP0395476A2; EP0430194A2; EP0430194A3; EP0440298A1; EP0484529A1; EP0484529B1; EP0504112A3; EP0538442B1; EP059918 | IBM Patent Data |
| mechanism | Inhibitor of fungal cytochrome P450 enzyme 14-alpha-demethylase | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02006b | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02006b | NIH Clinical Collection via PubChem |
| biological_use | Topical antimycotic | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP17A-1-E | Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 790 | 0.36 | Binding ≤ 10μM |
| CP51A-1-E | Cytochrome P450 51 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 342 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 56.5 | 0.42 | Binding ≤ 1μM |
| CP51A_HUMAN | Q16850 | Cytochrome P450 51, Human | 342 | 0.38 | Binding ≤ 1μM |
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 56.5 | 0.42 | Binding ≤ 10μM |
| CP51A_HUMAN | Q16850 | Cytochrome P450 51, Human | 342 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Androgen biosynthesis | |
| Cholesterol biosynthesis | |
| Endogenous sterols | |
| Glucocorticoid biosynthesis |
No pre-computed analogs available. Try a structural similarity search.