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 |
|---|---|---|---|---|
| FDBD00084 | Betaxolol |
|
Antihypertensive Agents; Adrenergic beta-1 Receptor Antagonists; Sympatholytics; EENT Preparations; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of hypertension. |
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00106 | Moxifloxacin |
|
Anti-Bacterial Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Quinolones; Ophthalmologicals; Sensory Organs; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiinfectives; Quinolone Antibacterials; Quinolone and Quinoxaline Antibacterials; | For the treatment of sinus and lung infections such as sinusitis, pneumonia, and secondary infections in chronic bronchitis. Also for the treatment of bacterial conjunctivitis (pinkeye). |
| FDBD00126 | Nevirapine |
|
Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Non-Nucleoside Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 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); CYP3A4 Inhibitors; | For use in combination with other antiretroviral drugs in the ongoing treatment of HIV-1 infection. |
| FDBD00344 | Montelukast |
|
Anti-Asthmatic Agents; Anti-Arrhythmia Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Leukotriene Receptor Antagonists; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of asthma. |
| FDBD00404 | Ciprofloxacin |
|
Anti-Bacterial Agents; Anti-Infective Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Quinolones; Ophthalmologicals; Sensory Organs; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiinfectives; Quinolone Antibacterials; Quinolone and Quinoxaline Antibacterials; Otologicals; Ophthalmological and Otological Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of the following infections caused by susceptible organisms: urinary tract infections, acute uncomplicated cystitis, chronic bacterial prostatitis, lower respiratory tract infections, acute sinusitis, skin and skin structure infections, bone and joint infections, complicated intra-abdominal infections (used in combination with metronidazole), infectious diarrhea, typhoid fever (enteric fever), uncomplicated cervical and urethral gonorrhea, and inhalational anthrax (post-exposure). |
| FDBD00490 | Efavirenz |
|
Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Non-Nucleoside Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP3A Inducers; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For use in combination treatment of HIV infection (AIDS). |
| FDBD00568 | Naltrexone |
|
Appetite Depressants; Narcotic Antagonists; Central Nervous System Depressants; Alcohol Antagonists; Alimentary Tract and Metabolism; Nervous System; Drugs Used in Addictive Disorders; Centrally Acting Antiobesity Products; Antiobesity Preparations, Excl. Diet Products; Drugs Used in Alcohol Dependence; | Used as an adjunct to a medically supervised behaviour modification program in the maintenance of opiate cessation in individuals who were formerly physically dependent on opiates and who have successfully undergone detoxification. Also used for the management of alcohol dependence in conjunction with a behavioural modification program. |
| FDBD00778 | Buprenorphine |
|
Analgesics; Analgesics, Opioid; Narcotics; Narcotic Antagonists; Nervous System; Drugs Used in Addictive Disorders; Opioids; Drugs Used in Opioid Dependence; Oripavine Derivatives; 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; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of moderate to severe pain, peri-operative analgesia, and opioid dependence. |
| FDBD00896 | Gatifloxacin |
|
Anti-Bacterial Agents; Topoisomerase II Inhibitors; Fluoroquinolones; Quinolones; Antibiotics; Ophthalmologicals; Sensory Organs; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Antiinfectives; Quinolone Antibacterials; Quinolone and Quinoxaline Antibacterials; | For the treatment of bronchitis, sinusitis, community-acquired pneumonia, and skin infections (abscesses, wounds) caused by S. pneumoniae, H. influenzae, S. aureus, M. pneumoniae, C. pneumoniae, L. pneumophila, S. pyogenes. |
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
