Common name
prop-1-ene
IUPAC name
prop-1-ene
SMILES
CC=C
Common name
prop-1-ene
IUPAC name
prop-1-ene
SMILES
CC=C
INCHI
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
FORMULA
C3H6
Common name
prop-1-ene
IUPAC name
prop-1-ene
Molecular weight
42.080
clogP
0.442
clogS
-0.470
Frequency
0.0299
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 |
|---|---|---|---|---|
| FDBD00005 | Cyclosporine |
|
Antirheumatic Agents; Dermatologic Agents; Immunosuppressive Agents; Antifungal Agents; Enzyme Inhibitors; Antineoplastic and Immunomodulating Agents; Ophthalmologicals; Sensory Organs; Calcineurin Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; 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; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For treatment of transplant (kidney, liver, and heart) rejection, rheumatoid arthritis, severe psoriasis. |
| FDBD00024 | Alpha-Linolenic Acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation and for treating dietary shortage or imbalance. |
| FDBD00045 | Dihomo-gamma-linolenic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00049 | Icosapent |
|
Dietary Supplements; Micronutrients; Supplements; Omega-3 Fatty Acids; | EPA can be used for lowering elevated triglycerides in those who are hyperglyceridemic. In addition, EPA may play a therapeutic role in patients with cystic fibrosis by reducing disease severity and may play a similar role in type 2 diabetics in slowing the progression of diabetic nephropathy. |
| FDBD00129 | Butalbital |
|
; | Used in combination with acetaminophen or aspirin and caffeine for its sedative and relaxant effects in the treatment of tension headaches, migraines, and pain. |
| FDBD00136 | Cabergoline |
|
Antineoplastic Agents; Antiparkinson Agents; Dopamine Agonists; Genito Urinary System and Sex Hormones; Nervous System; Anti-Parkinson Drugs; Prolactine Inhibitors; Dopaminergic Agents; CYP3A4 Inhibitors; | For the treatment of hyperprolactinemic disorders, either idiopathic or due to prolactinoma (prolactin-secreting adenomas). May also be used to manage symptoms of Parkinsonian Syndrome as monotherapy during initial symptomatic management or as an adjunct to levodopa therapy during advanced stages of disease. |
| FDBD00174 | Travoprost |
|
Antihypertensive Agents; Prostaglandins, Synthetic; Anti-glaucoma Agents; Ophthalmics; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | Ophthalmic solution used 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. |
| FDBD00193 | Talbutal |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Barbiturates, Plain; | For use as a sedative and hypnotic. |
| FDBD00222 | Pimecrolimus |
|
Anti-Inflammatory Agents, Non-Steroidal; Dermatologic Agents; Immunosuppressive Agents; Calcineurin Inhibitors; Dermatologicals; Agents for Dermatitis, Excluding Corticosteroids; CYP3A4 Inhibitors; | For treatment of mild to moderate atopic dermatitis. |
| FDBD00295 | Secobarbital |
|
Hypnotics and Sedatives; Adjuvants, Anesthesia; GABA Modulators; Barbiturates; Adjuvants; Nervous System; Psycholeptics; Barbiturates, Plain; Products for Animal Euthanasia; 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 CYP2C8 Inducers; | For the Short-term treatment of intractable insomnia for patients habituated to barbiturates. |
87 ,
9
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dzt_ligand_1_8.mol2 | 3dzt | 1 | -5.96 | C(=C)C | 3 |
| 2a2g_ligand_frag_1.mol2 | 2a2g | 1 | -5.91 | C(=C)C | 3 |
| 3dzt_ligand_1_9.mol2 | 3dzt | 1 | -5.91 | C=CC | 3 |
| 1o6h_ligand_1_0.mol2 | 1o6h | 1 | -5.89 | C=CC | 3 |
205 ,
21
