UCSF

ZINC03871723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 24 Yes

CAS Numbers: 60628-96-8 , 91487-85-3 , [60628-96-8]

Other Names:

(+-)-1-(p,alpha-Diphenylbenzyl)imidazole

(+-)-1-(p,alpha-Diphenylbenzyl)imidazole; 1-((4-Biphenylyl)phenylmethyl)-1H-imidazole; 1-(alpha-(4-Biphenylyl)benzyl)imidazole; 1H-Imidazole, 1-((1,1'-biphenyl)-4-ylphenylmethyl)-; 1H-Imidazole, 1-((1,1'-biphenyl)-4-ylphenylmethyl)-, (+-)-; BAY H 4502; BR

(+-)-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-(p,alpha-Diphenylbenzyl)imidazole;Bay h 4502;Bifonazol [inn-spanish];Bifon

(+-)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-[(R)-phenyl(4-phenylphenyl)methyl]-1H-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

60628-96-8; Bifonazole (JP16/USAN/INN); D01775; Mycospor (TN)

AC-15414

AC1L1DJN

Amycor

Azolmen

Bay h 4502

Bay H-4502

BAY-H-4502

Bayer brand of bifonazole

Bifazole

Bifokey

Bifomyk

Bifon

Bifonazol

Bifonazol [inn-spanish]

Bifonazole (BAN

Bifonazole (JP15/USAN/INN)

Bifonazole [USAN:BAN:INN:JAN]

Bifonazole, 99%+

BIFONAZOLE; CPD000058970; SAM001246775

Bifonazolum

Bifonazolum [inn-latin]

Bio-0008

Bioglan brand of bifonazole

BRD-A94543220-001-02-3

BRN 0618427

BSPBio_003570

C036596

C22H18N2

Canesten brand of bifonazole

Canesten Extra Bifonazol

CHEBI:116973

CHEMBL277535

CID2378

CPD000058970

CPD000058970; BIFONAZOLE; 60628-96-8

CPD000058970; SAM001246775; bifonazole

D01775

DAP000877

DB04794

Dermapharm brand of bifonazole

EINECS 262-336-6

HMS1922B18

HMS2051F04

HMS2090K13

HMS2093B09

I01-2098

Imidazole, 1-(alpha-(4-biphenylyl)benzyl)-

Inkeysa brand of bifonazole

INN

INN)

JAN

Juventus brand of bifonazole

KBio3_002922

LS-78073

Merck Lipha Sante brand of bifonazole

MFCD00865567

MFCD17977108

MLS000028576

MLS000759537

MLS001074074

Moldina

MolPort-003-666-632

Mycospor

Mycospor (TN)

Mycosporan

N/A

NCGC00089815-02

NCGC00089815-03

NCGC00089815-04

OR-1152

SAM001246775

SMR000058970

SPBio_000129

SPECTRUM1505309

Spectrum2_000035

Spectrum3_001970

STK618771

TL8003842

Trifonazole

USAN

USAN)

VU0239694-7

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.97 14.99 -36.29 1 2 1 19 311.408 4
Mid Mid (pH 6-8) 4.97 14.04 -7.59 0 2 0 18 310.4 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.45e-03 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Target Antifection Selleck Chemicals
Therapy antifungal, calmodulin antagonist SMDC Iconix
Indications athletes foot KeyOrganics Bioactives
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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Androgen biosynthesis
Cholesterol biosynthesis
Endogenous sterols
Glucocorticoid biosynthesis

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

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