Common name
benzamidine
IUPAC name
benzamidine
SMILES
c1ccc(cc1)C(=N)N
Common name
benzamidine
IUPAC name
benzamidine
SMILES
c1ccc(cc1)C(=N)N
INCHI
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
FORMULA
C7H8N2
Common name
benzamidine
IUPAC name
benzamidine
Molecular weight
120.152
clogP
1.127
clogS
-1.325
Frequency
0.0007
HBond Acceptor
0
HBond Donor
3
Total PolarSurface Area
49.87
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00602 | Pentamidine |
|
Antifungal Agents; Antiprotozoal Agents; Trypanocidal Agents; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Agents Against Leishmaniasis and Trypanosomiasis; Aromatic Diamidines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of pneumonia due to . |
| FDBD03262 | propamidine |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2j9n_ligand.mol2 | 2j9n | 1 | -7.11 | c1(ccccc1)C(=[NH2+])N | 10 |
| 1ce5_ligand.mol2 | 1ce5 | 1 | -7.06 | c1(ccccc1)C(=[NH2+])N | 10 |
| 1h4w_ligand.mol2 | 1h4w | 1 | -7.06 | c1(ccccc1)C(=[NH2+])N | 10 |
| 3atl_ligand.mol2 | 3atl | 1 | -7.03 | c1(ccccc1)C(=[NH2+])N | 10 |
| 3gy7_ligand.mol2 | 3gy7 | 1 | -7.03 | c1(ccccc1)C(=[NH2+])N | 10 |
| 1j14_ligand.mol2 | 1j14 | 1 | -7.02 | c1(ccccc1)C(=[NH2+])N | 10 |
| 1v2j_ligand.mol2 | 1v2j | 1 | -7.01 | c1(ccccc1)C(=[NH2+])N | 10 |
| 1v2u_ligand.mol2 | 1v2u | 1 | -7.01 | c1(ccccc1)C(=[NH2+])N | 10 |
| 1v2v_ligand.mol2 | 1v2v | 1 | -7.01 | c1(ccccc1)C(=[NH2+])N | 10 |
267 ,
27
