Common name
1-[(S)-(2-chlorophenyl)-phenyl-methyl]imidazole
IUPAC name
1-[(S)-(2-chlorophenyl)-phenyl-methyl]imidazole
SMILES
Clc1c(cccc1)C(n2ccnc2)c3ccccc3
Common name
1-[(S)-(2-chlorophenyl)-phenyl-methyl]imidazole
IUPAC name
1-[(S)-(2-chlorophenyl)-phenyl-methyl]imidazole
SMILES
Clc1c(cccc1)C(n2ccnc2)c3ccccc3
INCHI
InChI=1S/C16H13ClN2/c17-15-9-5-4-8-14(15)16(19-11-10-18-12-19)13-6-2-1-3-7-13/h1-12,16H/t16-/m0/s1
FORMULA
C16H13ClN2
Common name
1-[(S)-(2-chlorophenyl)-phenyl-methyl]imidazole
IUPAC name
1-[(S)-(2-chlorophenyl)-phenyl-methyl]imidazole
Molecular weight
269.749
clogP
2.579
clogS
-4.296
Frequency
0.0003
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.67
Number of Rings
3
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00145 | Clotrimazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Anti-Infective Agents, Local; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Antiinfectives for Systemic Use; Stomatological Preparations; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Antimycotics for Systemic Use; Imidazole Derivatives; Antiinfectives and Antiseptics for Local Oral Treatment; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the local treatment of oropharyngeal candidiasis and vaginal yeast infections, also used in fungal infections of the skin such as ringworm, athlete's foot, and jock itch. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2w71_ligand_2_0.mol2 | 2w71 | 0.716049 | -7.17 | C(c1c(Cl)cccc1Cl)[n+]1cc[nH]c1C | 15 |
| 2afx_ligand.mol2 | 2afx | 0.666667 | -6.89 | c1cncn1Cc1ccccc1 | 13 |
| 4d8n_ligand_2_0.mol2 | 4d8n | 0.666667 | -5.94 | [n+]1(cc[nH]c1)Cc1ccccc1 | 12 |
| 1s64_ligand_2_9.mol2 | 1s64 | 0.597403 | -6.48 | c1[n+](c[nH]c1)Cc1ccc(cc1)C#N | 14 |
| 1s63_ligand_2_9.mol2 | 1s63 | 0.597403 | -6.03 | c1[n+](c[nH]c1)Cc1ccc(cc1)C#N | 14 |
| 1n9a_ligand_2_7.mol2 | 1n9a | 0.597403 | -5.71 | c1c(ccc(c1)C#N)C[n+]1c[nH]cc1 | 14 |
| 4d8n_ligand_3_0.mol2 | 4d8n | 0.589744 | -6.11 | [n+]1(cc[nH]c1C)Cc1ccccc1 | 13 |
100 ,
11
