Common name
1-ethylimidazole
IUPAC name
1-ethylimidazole
SMILES
C(C)n1ccnc1
Common name
1-ethylimidazole
IUPAC name
1-ethylimidazole
SMILES
C(C)n1ccnc1
INCHI
InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
FORMULA
C5H8N2
Common name
1-ethylimidazole
IUPAC name
1-ethylimidazole
Molecular weight
97.138
clogP
-0.448
clogS
-0.667
Frequency
0.0031
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.67
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00179 | Etomidate |
|
Hypnotics and Sedatives; Anesthetics, Intravenous; Anesthetics; Nervous System; Anesthetics, General; Alpha2 Agonists; | Used in the induction of general anesthesia. |
| FDBD00504 | Butoconazole |
|
Antifungal Agents; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Imidazole Derivatives; | For the local treatment of vulvovaginal candidiasis (infections caused by Candida). |
| FDBD00830 | Telithromycin |
|
Anti-Bacterial Agents; Ketolides; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of . |
| FDBD00861 | Tioconazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Genito Urinary System and Sex Hormones; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Imidazole Derivatives; 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; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the local treatment of vulvovaginal candidiasis (moniliasis). |
| FDBD00959 | Miconazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Sensory Organs; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Antiinfectives for Systemic Use; Stomatological Preparations; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Antiinfectives; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Antimycotics for Systemic Use; Imidazole Derivatives; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Antiinfectives and Antiseptics for Local Oral Treatment; Otologicals; Intestinal Antiinfectives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 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 Inhibitors of CYP3A4 and P-glycoprotein; | For topical application in the treatment of tinea pedis (athlete’s foot), tinea cruris, and tinea corporis caused by . |
| FDBD00976 | Econazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Genito Urinary System and Sex Hormones; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Imidazole Derivatives; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For topical application in the treatment of tinea pedis, tinea cruris, and tinea corporis caused by . |
| FDBD01000 | Sertaconazole |
|
Antifungal Agents; Genito Urinary System and Sex Hormones; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Imidazole Derivatives; | For the topical treatment of interdigital tinea pedis in immunocompetent patients 12 years of age and older, caused by . |
| FDBD01504 | Sulconazole |
|
Dermatologicals; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; | Sulconazole solution 1.0% is indicated for the treatment of tinea cruris and tinea corporis caused by Trichophyton rubrum, Trichophyton mentagrophytes, Epidermophyton floccosum, and Microsporum canis; and for the treatment of tinea versicolor. Effectiveness has not been proven in tinea pedis (athlete's foot). |
| FDBD01587 | Isoconazole |
|
Genito Urinary System and Sex Hormones; Dermatologicals; Gynecological Antiinfectives and Antiseptics; Imidazole and Triazole Derivatives; Antifungals for Topical Use; Antifungals for Dermatological Use; Imidazole Derivatives; |
9 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fbe_ligand_2_8.mol2 | 4fbe | 1 | -6.23 | c1c[n+](c[nH]1)CC | 7 |
| 4f9u_ligand_2_8.mol2 | 4f9u | 1 | -6.18 | c1c[n+](c[nH]1)CC | 7 |
| 4mhy_ligand_2_8.mol2 | 4mhy | 1 | -6.18 | c1c[n+](c[nH]1)CC | 7 |
| 4fai_ligand_2_7.mol2 | 4fai | 1 | -6.17 | C([n+]1cc[nH]c1)C | 7 |
| 4f9v_ligand_2_7.mol2 | 4f9v | 1 | -6.11 | C(C)[n+]1cc[nH]c1 | 7 |
| 4mhz_ligand_2_8.mol2 | 4mhz | 1 | -6.08 | C(C)[n+]1cc[nH]c1 | 7 |
| 5dtj_ligand_2_20.mol2 | 5dtj | 1 | -6.01 | CC[n+]1cc[nH]c1 | 7 |
| 5afx_ligand_2_45.mol2 | 5afx | 1 | -5.90 | CC[n+]1cc[nH]c1 | 7 |
140 ,
15
