Common name
1,4-diphenylpiperazine
IUPAC name
1,4-diphenylpiperazine
SMILES
c1(ccccc1)N2CCN(CC2)c3ccccc3
Common name
1,4-diphenylpiperazine
IUPAC name
1,4-diphenylpiperazine
SMILES
c1(ccccc1)N2CCN(CC2)c3ccccc3
INCHI
InChI=1S/C16H18N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-10H,11-14H2
FORMULA
C16H18N2
Common name
1,4-diphenylpiperazine
IUPAC name
1,4-diphenylpiperazine
Molecular weight
238.328
clogP
2.613
clogS
-3.189
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
6.48
Number of Rings
3
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01013 | Itraconazole |
|
Antifungal Agents; Antiprotozoal Agents; 14-alpha Demethylase Inhibitors; Antiinfectives for Systemic Use; Triazole Derivatives; Antimycotics for Systemic Use; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; 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 the treatment of the following fungal infections in immunocompromised and non-immunocompromised patients: pulmonary and extrapulmonary blastomycosis, histoplasmosis, aspergillosis, and onychomycosis. |
| FDBD01105 | Posaconazole |
|
Antifungal Agents; 14-alpha Demethylase Inhibitors; Trypanocidal Agents; Antiinfectives for Systemic Use; Triazole Derivatives; Antimycotics for Systemic Use; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For prophylaxis of invasive . |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ql1_ligand_1_3.mol2 | 4ql1 | 1 | -7.19 | c1ccccc1N1CC[NH+](CC1)C | 13 |
| 4hyi_ligand_1_1.mol2 | 4hyi | 1 | -7.01 | c1cccc(c1)N1CC[NH2+]CC1 | 12 |
| 2yac_ligand_1_3.mol2 | 2yac | 1 | -6.87 | c1cc(ccc1)N1CC[NH+](CC1)C | 13 |
| 2xnb_ligand_1_0.mol2 | 2xnb | 1 | -6.66 | C1C[NH2+]CCN1c1ccccc1 | 12 |
| 2owb_ligand_1_2.mol2 | 2owb | 1 | -6.65 | N1(CC[NH+](CC1)C)c1ccccc1 | 13 |
| 4f4p_ligand_1_0.mol2 | 4f4p | 1 | -6.65 | c1(ccccc1)N1CC[NH2+]CC1 | 12 |
101 ,
11
