Common name
prop-1-yne
IUPAC name
prop-1-yne
SMILES
C#CC
Common name
prop-1-yne
IUPAC name
prop-1-yne
SMILES
C#CC
INCHI
InChI=1S/C3H4/c1-3-2/h1H,2H3
FORMULA
C3H4
Common name
prop-1-yne
IUPAC name
prop-1-yne
Molecular weight
40.064
clogP
0.279
clogS
-0.097
Frequency
0.0082
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00696 | Mifepristone |
|
Hormone Antagonists; Contraceptives, Oral, Synthetic; Abortifacient Agents, Steroidal; Contraceptives, Postcoital, Synthetic; Luteolytic Agents; Menstruation-Inducing Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Progesterone Receptor Modulators; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the medical termination of intrauterine pregnancy through 49 days' pregnancy. Also indicated to control hyperglycemia secondary to hypercortisolism in adult patients with endogenous Cushing's syndrome who have type 2 diabetes mellitus or glucose intolerance and are not candidates for surgery or have had unsuccessful surgery. |
| FDBD00890 | Selegiline |
|
Antiparkinson Agents; Neuroprotective Agents; Monoamine Oxidase Inhibitors; Antidyskinetics; Dopaminergics; Nervous System; Antidepressants; Psychoanaleptics; Anti-Parkinson Drugs; Dopaminergic Agents; Monoamine Oxidase B Inhibitors; 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; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | Monotherapy for initial treatment of Parkinson's disease, as well as an adjunct therapy in patients with a decreased response to levodopa/carbadopa. Also used for the palliative treatment of mild to moderate Alzheimer's disease and at higher doses, for the treatment of depression. |
| FDBD00913 | Oxybutynin |
|
Muscarinic Antagonists; Parasympatholytics; Cholinergic Antagonists; Antispasmodics; Muscle Relaxants, Genitourinary; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder. |
| FDBD00938 | Iloprost |
|
Platelet Aggregation Inhibitors; Vasodilator Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; | Used for the treatment of pulmonary arterial hypertension. |
| FDBD01163 | Rasagiline |
|
Neuroprotective Agents; Monoamine Oxidase Inhibitors; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Monoamine Oxidase B Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For the treatment of the signs and symptoms of idiopathic Parkinsons disease as initial monotherapy and as adjunct therapy to levodopa. |
| FDBD01275 | Pargyline |
|
Antihypertensive Agents; Monoamine Oxidase Inhibitors; Cardiovascular System; MAO Inhibitors and Diuretics; | For the treatment of moderate to severe hypertension. |
| FDBD01500 | Pralatrexate |
|
Antineoplastic Agents; Immunosuppressive Agents; Antimetabolites; Antineoplastic and Immunomodulating Agents; Folic Acid Analogues; | Treatment of relapsed or refractory peripheral T-cell lymphoma. |
| FDBD01554 | Linagliptin |
|
Hypoglycemic Agents; Dipeptidyl-Peptidase IV Inhibitors; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Incretins; CYP3A4 Inhibitors; | Linagliptin is used for the management of type 2 diabetes mellitus. |
| FDBD01988 | kinoprene |
|
Insecticide | Insecticide |
| FDBD02262 | d-fanshiluquebingjuzhi |
|
Insecticide | Insecticide |
24 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2a8h_ligand_1_4.mol2 | 2a8h | 1 | -5.51 | CC#C | 3 |
| 2i47_ligand_frag_8.mol2 | 2i47 | 1 | -5.51 | C#CC | 3 |
| 3g42_ligand_1_3.mol2 | 3g42 | 1 | -5.51 | CC#C | 3 |
| 1zxc_ligand_frag_0.mol2 | 1zxc | 1 | -5.50 | CC#C | 3 |
| 5ael_ligand_1_2.mol2 | 5ael | 1 | -5.50 | C(#C)C | 3 |
| 2pjt_ligand_frag_0.mol2 | 2pjt | 1 | -5.49 | CC#C | 3 |
| 3b92_ligand_frag_3.mol2 | 3b92 | 1 | -5.49 | C(#C)C | 3 |
| 3gz9_ligand_1_6.mol2 | 3gz9 | 1 | -5.47 | C(#C)C | 3 |
| 4b1c_ligand_frag_4.mol2 | 4b1c | 1 | -5.47 | C#CC | 3 |
| 4djy_ligand_frag_4.mol2 | 4djy | 1 | -5.47 | C#CC | 3 |
124 ,
13
