Common name
propanamide
IUPAC name
propanamide
SMILES
CCC(=O)N
Common name
propanamide
IUPAC name
propanamide
SMILES
CCC(=O)N
INCHI
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
FORMULA
C3H7NO
Common name
propanamide
IUPAC name
propanamide
Molecular weight
73.094
clogP
-0.459
clogS
-0.125
Frequency
0.0148
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00006 | Felypressin |
|
Vasoconstrictor Agents; Renal Agents; | For use as an alternative to adrenaline as a localising agent, provided that local ischaemia is not essential. |
| FDBD00022 | L-Glutamine |
|
Dietary Supplements; Micronutrients; Supplements; Non-Essential Amino Acids; Alimentary Tract and Metabolism; Amino Acids and Derivatives; | Used for nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00034 | Glutathione |
|
Antidotes; Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| 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. |
| FDBD00077 | Bortezomib |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of multiple myeloma in patients who have not been successfully treated with at least two previous therapies. |
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00112 | Indinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indinavir is an antiretroviral drug for the treatment of HIV infection. |
| FDBD00167 | Disopyramide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP3A4 Inhibitors; | For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug. |
| FDBD00572 | Sufentanil |
|
Anesthetics, Intravenous; Analgesics, Opioid; Narcotics; Adjuvants, Anesthesia; Anesthetics; Nervous System; Anesthetics, General; Opioid Anesthetics; CYP3A4 Inhibitors; | Used as an analgesic adjunct in anesthesia and as a primary anesthetic drug in procedures requiring assisted ventilation and in the relief of pain. |
| FDBD00614 | Prilocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; | Used as a local anaesthetic and is often used in dentistry. |
43 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2j62_ligand_1_0.mol2 | 2j62 | 1 | -6.47 | CC(C)C(=O)N | 6 |
| 3g0i_ligand_3_6.mol2 | 3g0i | 1 | -6.41 | CC(C)C(=O)N | 6 |
| 1wdn_ligand_2_2.mol2 | 1wdn | 1 | -6.30 | C(C(=O)N)C | 5 |
| 5cal_ligand_2_20.mol2 | 5cal | 1 | -6.30 | C(=O)(N)C(C)(C)C | 7 |
| 4g4p_ligand_2_2.mol2 | 4g4p | 1 | -6.20 | C(=O)(N)CC | 5 |
| 4kqp_ligand_2_2.mol2 | 4kqp | 1 | -6.20 | CCC(=O)N | 5 |
| 2qpj_ligand_3_108.mol2 | 2qpj | 1 | -6.18 | C(=O)(N)C(C)C | 6 |
| 3m6p_ligand_3_45.mol2 | 3m6p | 1 | -6.17 | C(C(=O)N)(C)C | 6 |
| 4jt8_ligand_1_0.mol2 | 4jt8 | 1 | -6.17 | CC(C)(C)C(=O)N | 7 |
1619 ,
162
