Common name
N-benzylformamide
IUPAC name
N-benzylformamide
SMILES
c1(ccccc1)CNC=O
Common name
N-benzylformamide
IUPAC name
N-benzylformamide
SMILES
c1(ccccc1)CNC=O
INCHI
InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
FORMULA
C8H9NO
Common name
N-benzylformamide
IUPAC name
N-benzylformamide
Molecular weight
135.163
clogP
1.528
clogS
-2.013
Frequency
0.0038
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00066 | Valsartan |
|
Antihypertensive Agents; Angiotensin II Type 1 Receptor Blockers; Angiotensin Receptor Antagonists; Lipid Modifying Agents; Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Angiotensin II Receptor Antagonists; | May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Losartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors. |
| FDBD00527 | Trimethobenzamide |
|
Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; | For the treatment of postoperative nausea and vomiting and for nausea associated with gastroenteritis. |
| FDBD00769 | Repaglinide |
|
Hypoglycemic Agents; Antidiabetic Agents; Meglitinides; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | As an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. |
| FDBD01074 | Paclitaxel |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Phytogenic; Tubulin Modulators; Antineoplastic and Immunomodulating Agents; Taxanes; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in the treatment of Kaposi's sarcoma and cancer of the lung, ovarian, and breast. Abraxane® is specfically indicated for the treatment of metastatic breast cancer and locally advanced or metastatic non-small cell lung cancer. |
| FDBD01321 | Maraviroc |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; CCR5 Receptor Antagonists; | For treatment-experienced adult patients infected with only CCR5-tropic HIV-1 detectable, who have evidence of viral replication and HIV-1 strains resistant to multiple antiretroviral agents. |
| FDBD01345 | Ximelagatran |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the treatment of acute deep vein thrombosis. |
| FDBD01392 | Lacosamide |
|
Anticonvulsants; Nervous System; Antiepileptics; | Lacosamide is indicated for adjunctive therapy for partial onset seizures in patients with epilepsy over 17 years old. Injection is indicated for short term use when oral therapy is not feasible. |
| FDBD02225 | tebufenpyrad |
|
Insecticide | Insecticide |
| FDBD02226 | tolfenpyrad |
|
Insecticide | Insecticide |
| FDBD02355 | benzipram |
|
Herbicide | Herbicide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fnz_ligand_2_49.mol2 | 4fnz | 1 | -7.03 | C(=O)NCc1ccccc1 | 10 |
| 4jnc_ligand_2_0.mol2 | 4jnc | 1 | -6.96 | c1(ccccc1)CNC=O | 10 |
| 2y1x_ligand_2_9.mol2 | 2y1x | 1 | -6.95 | c1cccc(c1)CNC=O | 10 |
| 4tpt_ligand_2_2.mol2 | 4tpt | 1 | -6.84 | C(=O)N(C)Cc1ccccc1 | 11 |
| 4prg_ligand_3_676.mol2 | 4prg | 1 | -6.80 | C(=O)N(Cc1ccccc1)C | 11 |
| 4m6q_ligand_2_24.mol2 | 4m6q | 1 | -6.79 | c1ccc(cc1)CNC=O | 10 |
| 4l4l_ligand_2_15.mol2 | 4l4l | 1 | -6.75 | c1ccc(cc1)CNC=O | 10 |
| 4o13_ligand_2_12.mol2 | 4o13 | 1 | -6.73 | N(C=O)Cc1ccccc1 | 10 |
| 2hu6_ligand_2_3.mol2 | 2hu6 | 1 | -6.71 | c1(ccccc1)CNC=O | 10 |
| 4r5x_ligand_2_1.mol2 | 4r5x | 1 | -6.70 | N(C=O)Cc1ccccc1 | 10 |
116 ,
12
