Common name
propanenitrile
IUPAC name
propanenitrile
SMILES
C(C#N)C
Common name
propanenitrile
IUPAC name
propanenitrile
SMILES
C(C#N)C
INCHI
InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
FORMULA
C3H5N
Common name
propanenitrile
IUPAC name
propanenitrile
Molecular weight
55.078
clogP
0.165
clogS
-0.567
Frequency
0.0048
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
23.79
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00526 | Verapamil |
|
Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors and Calcium Channel Blockers; Selective Calcium Channel Blockers With Direct Cardiac Effects; Phenylalkylamine 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; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of hypertension, angina, and cluster headache prophylaxis. |
| FDBD00931 | Diphenoxylate |
|
Analgesics, Opioid; Antidiarrheals; Antiperistaltic Agents; Alimentary Tract and Metabolism; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; Antipropulsives; | For as adjunctive therapy in the management of diarrhea. |
| FDBD01218 | Difenoxin |
|
Motofen(R) is a combination of atropine, an anticholinergic drug, and difenoxin, an antidiarrheal drug. It has been used in many countries for many years as a second line opioid-agonist antidiarrheal, which exists an intermediate between loperamide and paragoric. [2] | |
| FDBD01222 | Fenproporex |
|
Fenproporex is used as an appetite suppressant, and anti-obesity agent [2]; however, due to substance abuse potential, it is an illicit substance in many countries. In some countries, such as Brazil, it is still prescribed -- often in the form of diet pills (ie. Brazilian Diet Pills) which combine amphetamines, benzodiazepines, antidepressants, diuretics and laxatives. | |
| FDBD01245 | Cinolazepam |
|
Hypnotics and Sedatives; Benzodiazepines; Nervous System; Benzodiazepine Derivatives; Psycholeptics; | For the management of anxiety disorders or for the short-term relief of the symptoms of anxiety or anxiety associated with depressive symptoms. |
| FDBD01552 | Ruxolitinib |
|
Antineoplastic Agents; Immunosuppressive Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; | Treatment of intermediate or high-risk myelofibrosis, including primary myelofibrosis, post-polycythemia vera (post-PV) myelofibrosis and post-essential thrombocythemia (post-ET) myelofibrosis. [Lexicomp] Myeolofibrosis is the proliferation of abnormal bone marrow stem cells which cause fibrosis (the excessive formation of connective tissue). |
| FDBD01588 | Isoaminile |
|
Cough and Cold Preparations; Respiratory System; | |
| FDBD01884 | nitrilacarb |
|
Insecticide | Insecticide |
| FDBD01887 | thiocarboxime |
|
Insecticide | Insecticide |
| FDBD03011 | cypendazole |
|
Fungicide | Fungicide |
14 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4rg0_ligand_frag_7.mol2 | 4rg0 | 1 | -5.98 | C(C#N)(C)C | 5 |
| 4g9c_ligand_frag_4.mol2 | 4g9c | 1 | -5.89 | C(C)(C)C#N | 5 |
| 4fc0_ligand_frag_5.mol2 | 4fc0 | 1 | -5.82 | C(C)(C)C#N | 5 |
| 2b5j_ligand_1_4.mol2 | 2b5j | 1 | -5.63 | C(C#N)C | 4 |
| 4o2a_ligand_1_5.mol2 | 4o2a | 1 | -5.57 | CCC#N | 4 |
| 4eft_ligand_1_1.mol2 | 4eft | 1 | -5.42 | CCC#N | 4 |
| 4ivd_ligand_1_3.mol2 | 4ivd | 1 | -5.40 | CCC#N | 4 |
| 6prc_ligand_frag_2.mol2 | 6prc | 1 | -5.36 | C(C#N)C | 4 |
7005 ,
701
