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 |
|---|---|---|---|---|
| FDBD00473 | Chloroquine |
|
Antirheumatic Agents; Antimalarials; Antiprotozoal Agents; Amebicides; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the suppressive treatment and for acute attacks of malaria due to P. vivax, P.malariae, P. ovale, and susceptible strains of P. falciparum, Second-line agent in treatment of Rheumatoid Arthritis. |
| FDBD00495 | Alendronate |
|
Bone Density Conservation Agents; Antihypocalcemic Agents; Antiresorptives; Bisphosphonates; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; | For the treatment and prevention of osteoporosis in women and Paget's disease of bone in both men and women. |
| FDBD00556 | Moexipril |
|
Angiotensin-Converting Enzyme Inhibitors; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension. |
| FDBD00586 | Lisinopril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiotonic Agents; Lipid Modifying Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; ACE Inhibitors and Calcium Channel Blockers; | For the treatment of hypertension and symptomatic congestive heart failure. May be used in conjunction with thrombolytic agents, aspirin and/or β-blockers to improve survival in hemodynamically stable individuals following myocardial infarction. May be used to slow the progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00614 | Prilocaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; | Used as a local anaesthetic and is often used in dentistry. |
| FDBD00699 | Progabide |
|
Antiparkinson Agents; Anticonvulsants; Antidepressive Agents; GABA Agonists; Antidyskinetics; Nervous System; Antiepileptics; Fatty Acid Derivatives; | Indicated for the treatment of epilepsy. |
| FDBD00741 | Quinapril |
|
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; | For the treatment of hypertension and as adjunct therapy in the treatment of congestive heart failure. May also be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy. |
| FDBD00753 | Benzylpenicilloyl Polylysine |
|
Acetamides; | For use as a adjunct in assessing the risk of administering penicillin (benzylpenicillin or penicillin G). |
| FDBD00793 | Salmeterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Beta2 Agonists; | For the treatment of asthma and chronic obstructive pulmonary disease (COPD). |
| FDBD00866 | Cinacalcet |
|
Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Anti-Parathyroid Agents; Calcium Homeostasis; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Calcimimetic Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of secondary hyperparathyroidism in patients with Chronic Kidney Disease who are on hemodialysis or peritoneal dialysis. Also for the treatment of hypercalcemia in patients with parathyroid carcinoma. |
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
