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 |
|---|---|---|---|---|---|
| 2zq1_ligand_1_3.mol2 | 2zq1 | 0.925926 | -7.00 | Cc1ccc(C(=N)N)cc1 | 10 |
| 4omd_ligand_1_18.mol2 | 4omd | 0.925926 | -7.00 | Cc1ccc(C(=N)N)cc1 | 10 |
| 4bah_ligand_1_5.mol2 | 4bah | 0.925926 | -6.99 | c1(ccc(cc1)C(=N)N)C | 10 |
| 4bam_ligand_1_5.mol2 | 4bam | 0.925926 | -6.97 | Cc1ccc(cc1)C(=N)N | 10 |
| 2zda_ligand_1_2.mol2 | 2zda | 0.925926 | -6.96 | c1(ccc(C(=N)N)cc1)C | 10 |
| 1ets_ligand_1_6.mol2 | 1ets | 0.925926 | -6.92 | c1(ccc(cc1)C(=N)N)C | 10 |
| 7kme_ligand_1_3.mol2 | 7kme | 0.925926 | -6.92 | NC(=N)c1ccc(cc1)C | 10 |
| 1ktt_ligand_1_0.mol2 | 1ktt | 0.925926 | -6.88 | NC(=N)c1ccc(cc1)C | 10 |
| 1dwd_ligand_1_3.mol2 | 1dwd | 0.925926 | -6.83 | c1(ccc(cc1)C(=N)N)C | 10 |
| 1a5h_ligand_1_2.mol2 | 1a5h | 0.925926 | -6.82 | c1(ccc(cc1)C(=N)N)C | 10 |
267 ,
27
