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 |
|---|---|---|---|---|
| FDBD00900 | Abacavir |
|
Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleoside and Nucleotide Reverse Transcriptase Inhibitors; | For the treatment of HIV-1 infection, in combination with other antiretroviral agents. |
| FDBD01002 | Gemifloxacin |
|
Anti-Bacterial Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Quinolones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Quinolone Antibacterials; Quinolone and Quinoxaline Antibacterials; | For the treatment of bacterial infection caused by susceptible strains such as . |
| FDBD01054 | Sparfloxacin |
|
Fluoroquinolones; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Quinolone Antibacterials; Quinolone and Quinoxaline Antibacterials; | For the treatment of adults with the following infections caused by susceptible strains microorganisms: community-acquired pneumonia (caused by . |
| FDBD01147 | Saprisartan |
|
Angiotensin II Receptor Antagonists; | Saprisartan is used in the treatment of hypertension and heart failure. |
| FDBD01239 | Prazepam |
|
Anti-Anxiety Agents; GABA Modulators; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics; CYP3A4 Inhibitors; | For the treatment of anxiety disorders. |
| FDBD01279 | Roflumilast |
|
Respiratory System; Drugs for Obstructive Airway Diseases; | Roflumilast is indicated as a treatment to reduce the risk of COPD exacerbations in patients with severe COPD associated with chronic bronchitis and a history of exacerbations. Roflumilast is not a bronchodilator and is not indicated for the relief of acute bronchospasm. |
| FDBD01284 | Calcipotriol |
|
Dermatologic Agents; Dermatologicals; Antipsoriatics for Topical Use; Antipsoriatics; Drugs for Keratoseborrheic Disorders, Topical Use (Atc Human: Antipsoriatics for Topical Use); Drugs for Keratoseborrheic Disorders (Atc Human: Antipsoriatics); | For the treatment of moderate plaque psoriasis in adults. |
| FDBD01344 | Milnacipran |
|
Serotonin Uptake Inhibitors; Adrenergic Uptake Inhibitors; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; | Milnacipran is used to treat moderate to severe clinical depression but this indication is not yet FDA-approved in the USA. Milnacipran is labelled for the treatment of fibromyalgia pain. |
| FDBD01369 | Telaprevir |
|
Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Treating chronic hepatitis C virus (genotype 1) infection in patients with compensated liver (due to liver diseases like cirrhosis) that are treatment naive or have failed therapy with interferons (either null or partial responders and treatment relapsers). |
| FDBD01386 | Prasugrel |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; | Indicated in combination with acetylsalicylic acid (ASA) to prevent atherothrombotic events in patients with acute coronary syndrome (ACS) who are to be managed with percutaneous coronary intervention (PCI). May be used in patients with unstable angina (UA), non-ST elevation myocardial infarction (NSTEMI), ST-elevation myocardial infarction (STEMI) who are to be managed with PCI. Prasugrel is not recommended in patients 75 years of age or greater, those that weigh. |
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
