Common name
(3S)-pent-1-en-3-ol
IUPAC name
(3S)-pent-1-en-3-ol
SMILES
CCC(C=C)O
Common name
(3S)-pent-1-en-3-ol
IUPAC name
(3S)-pent-1-en-3-ol
SMILES
CCC(C=C)O
INCHI
InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3/t5-/m1/s1
FORMULA
C5H10O
Common name
(3S)-pent-1-en-3-ol
IUPAC name
(3S)-pent-1-en-3-ol
Molecular weight
86.132
clogP
0.673
clogS
-0.486
Frequency
0.0017
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00633 | Alprostadil |
|
Platelet Aggregation Inhibitors; Vasodilator Agents; Prostaglandins; Genito Urinary System and Sex Hormones; Cardiovascular System; Drugs Used in Erectile Dysfunction; Cardiac Therapy; Urological Agents; | For palliative, not definitive, therapy to temporarily maintain the patency of the ductus arteriosus until corrective or palliative surgery can be performed in neonates who have congenital heart defects and who depend upon the patent ductus for survival. Also for the treatment of erectile dysfunction due to neurogenic, vasculogenic, psychogenic, or mixed etiology. |
| FDBD00762 | Bimatoprost |
|
Antihypertensive Agents; Anti-glaucoma Agents; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | For the reduction of elevated intraocular pressure in patients with open angle glaucoma or ocular hypertension who are intolerant of other intraocular pressure lowering medications or insufficiently responsive (failed to achieve target IOP determined after multiple measurements over time) to another intraocular pressure lowering medication. |
| FDBD00774 | Dinoprostone |
|
For the termination of pregnancy during the second trimester (from the 12th through the 20th gestational week as calculated from the first day of the last normal menstrual period), as well as for evacuation of the uterine contents in the management of missed abortion or intrauterine fetal death up to 28 weeks of gestational age as calculated from the first day of the last normal menstrual period. Also used in the management of nonmetastatic gestational trophoblastic disease (benign hydatidiform mole). Other indications include improving the cervical inducibility (cervical ; | |
| 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. |
| FDBD01084 | Epoprostenol |
|
Platelet Aggregation Inhibitors; Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | For the long-term intravenous treatment of primary pulmonary hypertension and pulmonary hypertension associated with the scleroderma spectrum of disease in NYHA Class III and Class IV patients who do not respond adequately to conventional therapy. |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxu_ligand_1_16.mol2 | 2fxu | 0.909091 | -5.56 | [C@H](O)(C)C(=C)C | 6 |
| 2zmj_ligand_3_4.mol2 | 2zmj | 0.833333 | -5.93 | C(C=C)[C@@H](O)C | 6 |
| 2ewp_ligand_3_85.mol2 | 2ewp | 0.769231 | -5.83 | C(CO)CC=C | 6 |
| 1k6v_ligand_3_186.mol2 | 1k6v | 0.769231 | -5.56 | C(O)CCC=C | 6 |
| 5a0e_ligand_3_687.mol2 | 5a0e | 0.769231 | -5.02 | C(=C)C[C@H](CO)C | 7 |
| 1s19_ligand_2_5.mol2 | 1s19 | 0.733333 | -6.35 | C1(CC1)[C@@H](C=C)O | 7 |
| 3hkw_ligand_2_5.mol2 | 3hkw | 0.727273 | -5.88 | OCC(=C)C | 5 |
| 3hky_ligand_2_5.mol2 | 3hky | 0.727273 | -5.85 | OCC(=C)C | 5 |
| 1o1s_ligand_2_36.mol2 | 1o1s | 0.727273 | -5.62 | C(O)C(=C)C | 5 |
110 ,
12
