Common name
cyclopropane
IUPAC name
cyclopropane
SMILES
C1CC1
Common name
cyclopropane
IUPAC name
cyclopropane
SMILES
C1CC1
INCHI
InChI=1S/C3H6/c1-2-3-1/h1-3H2
FORMULA
C3H6
Common name
cyclopropane
IUPAC name
cyclopropane
Molecular weight
42.080
clogP
1.949
clogS
-0.466
Frequency
0.0175
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01406 | Simeprevir |
|
Simeprevir is indicated in patient's with hepatitis C virus (HCV) genotype 1 for the treatment of chronic hepatitis as a combination therapy, which includes peginterferon alfa and ribavirin. | |
| FDBD01473 | Besifloxacin |
|
Topoisomerase II Inhibitors; Fluoroquinolones; Quinolones; Antibiotics; Ophthalmologicals; Sensory Organs; Antiinfectives; | Treatment of bacterial conjunctivitis. Bacterial isolates that are susceptible to besifloxacin include: CDC coryneform group G; Corynebacterium pseudodiphtheriticum; Corynebacterium striatum; Haemophilus influenzae; Moraxella lacunata; Staphylococcus aureus; Staphylococcus epidermidis; Staphylococcus hominis; Staphylococcus lugdunensis; Streptococcus mitis group; Streptococcus oralis; Streptococcus pneumoniae; Streptococcus salivarius* . |
| FDBD01493 | Methylnaltrexone |
|
Narcotic Antagonists; Alimentary Tract and Metabolism; Drugs for Constipation; Peripheral Opioid Receptor Antagonists; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Treatment of opioids induced constipation in palliative patients that are inadequately responding to laxative therapy. |
| FDBD01529 | Ticagrelor |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic P2Y Receptor Antagonists; CYP3A4 Inhibitors; | For the prevention of thrombotic events (for example stroke or heart attack) in patients with acute coronary syndrome or myocardial infarction with ST elevation. |
| FDBD01543 | Pitavastatin |
|
Hydroxymethylglutaryl-CoA Reductase Inhibitors; Hypolipidemic Agents; HMG CoA Reductase Inhibitors; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; | Pitavastatin is used to lower serum levels of total cholesterol, LDL-C, apolipoprotein B, and triglycerides, and raise levels of HDL-C for the treatment of dyslipidemia. |
| FDBD01572 | Trametinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Trametinib is indicated for the treatment of unresectable or metastatic melanoma with BRAF V600E or V600K mutations, as detected by an FDA-approved test. |
| FDBD01576 | Levomilnacipran |
|
Serotonin Uptake Inhibitors; Adrenergic Uptake Inhibitors; Antidepressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Levomilnacipran is a serotonin and norepinephrine reuptake inhibitor and is indicated for the treatment of major depressive disorder (MDD). |
| FDBD01644 | Finafloxacin |
|
; | Finafloxacin is indicated for the treatment of acute otitis externa (AOE) with or without an otowick, caused by susceptible strains of . |
| FDBD01653 | Corticorelin |
|
Diagnostic Agents; Tests for Pituitary Function; | Corticorelin is indicated for use in differentiating pituitary and ectopic production of ACTH in patients with ACTH-dependent Cushing's syndrome. |
| FDBD01656 | Tasimelteon |
|
Hypnotics and Sedatives; Nervous System; Psycholeptics; Melatonin Receptor Agonists; | Tasimelteon is indicated for the treatment of Non-24-Hour Sleep-Wake Disorder (N24HSWD). |
51 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n1u_ligand_frag_1.mol2 | 4n1u | 1 | -6.12 | C1CC1 | 3 |
| 4kin_ligand_frag_3.mol2 | 4kin | 1 | -6.08 | C1CC1 | 3 |
| 4kiq_ligand_frag_2.mol2 | 4kiq | 1 | -6.08 | C1CC1 | 3 |
| 3gfe_ligand_frag_2.mol2 | 3gfe | 1 | -6.06 | C1CC1 | 3 |
| 3iph_ligand_frag_4.mol2 | 3iph | 1 | -6.06 | C1CC1 | 3 |
| 3itz_ligand_frag_3.mol2 | 3itz | 1 | -6.06 | C1CC1 | 3 |
287 ,
29
