Common name
propan-1-amine
IUPAC name
propan-1-amine
SMILES
CCCN
Common name
propan-1-amine
IUPAC name
propan-1-amine
SMILES
CCCN
INCHI
InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
FORMULA
C3H9N
Common name
propan-1-amine
IUPAC name
propan-1-amine
Molecular weight
59.110
clogP
-0.200
clogS
-0.540
Frequency
0.0292
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01144 | Cilazapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | Cilazapril is an ACE inhibtor class drug used in the treatment of hypertension and heart failure. |
| FDBD01148 | Spirapril |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; | Spirapril is an ACE inhibitor class drug used to treat hypertension. |
| FDBD01162 | Procaterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Beta2 Agonists; | For the treatment of asthma and chronic obstructive pulmonary disease (COPD). |
| FDBD01204 | Aprindine |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ib; CYP2D6 Inducers; CYP2D6 Inducers (strong); | |
| FDBD01261 | Hydroxychloroquine |
|
Antirheumatic Agents; Enzyme Inhibitors; Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the suppressive treatment and treatment of acute attacks of malaria due to . |
| FDBD01266 | Alverine |
|
Parasympatholytics; Antispasmodics; Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders; | Used to relieve cramps or spasms of the stomach and intestines. It is also useful in treating irritable bowel syndrome (IBS) and similar conditions. It can also be used to help relieve period pain. Alverine citrate is also under investigation to increase the cytotoxic effects of the proteasome inhibitor MG132 on breast cancer cells. |
| FDBD01333 | Dronedarone |
|
Anti-Arrhythmia Agents; Adrenergic alpha-1 Receptor Antagonists; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Management of paroxysmal or persistent atrial fibrillation via restoration of normal sinus rhythm. |
| FDBD01343 | Vapreotide |
|
Antineoplastic Agents; Analgesics; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Hypothalamic Hormones; Somatostatin and Analogues; | For the treatment of esophageal variceal bleeding in patients with cirrhotic liver disease and has also shown efficacy in the treatment of patients with AIDS-related diarrhea. |
| FDBD01366 | Rotigotine |
|
Dopamine Agonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For use/treatment in neurologic disorders and parkinson's disease as well as moderate-to-severe primary Restless Legs Syndrome. |
| FDBD01396 | Eflornithine |
|
Antineoplastic Agents; Enzyme Inhibitors; Antiprotozoal Agents; Trypanocidal Agents; Dermatologicals; Antiparasitic Products, Insecticides and Repellents; Agents Against Leishmaniasis and Trypanosomiasis; Ornithine Decarboxylase Inhibitors; | Eflornithine is indicated in the treatment of facial hirsutism (excessive hair growth). |
85 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3coy_ligand_1_1.mol2 | 3coy | 1 | -6.51 | C([NH3+])C(C)(C)C | 6 |
| 4fys_ligand_1_1.mol2 | 4fys | 1 | -6.43 | C(C)(C)C[NH3+] | 5 |
| 1a99_ligand_2_2.mol2 | 1a99 | 1 | -6.26 | CCC[NH3+] | 4 |
| 2ajb_ligand_1_0.mol2 | 2ajb | 1 | -6.25 | C(C)(C)(C)C[NH3+] | 6 |
| 1i7m_ligand_2_2.mol2 | 1i7m | 1 | -6.16 | C(C[NH3+])C | 4 |
| 4qfp_ligand_1_1.mol2 | 4qfp | 1 | -6.14 | C(C)(C)C[NH3+] | 5 |
505 ,
51
