Common name
butan-1-ol
IUPAC name
butan-1-ol
SMILES
C(CC)CO
Common name
butan-1-ol
IUPAC name
butan-1-ol
SMILES
C(CC)CO
INCHI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
FORMULA
C4H10O
Common name
butan-1-ol
IUPAC name
butan-1-ol
Molecular weight
74.122
clogP
0.437
clogS
-0.772
Frequency
0.0134
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 |
|---|---|---|---|---|
| FDBD00109 | Isoetarine |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Beta2 Agonists; | For the treatment of asthma, wheezing, and chronic asthmatic bronchitis. |
| FDBD00112 | Indinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indinavir is an antiretroviral drug for the treatment of HIV infection. |
| FDBD00135 | Methysergide |
|
Vasoconstrictor Agents; Analgesics; Serotonin Antagonists; Nervous System; Antimigraine Preparations; Ergot Alkaloids; | For the treatment of vascular headache. |
| FDBD00186 | Penciclovir |
|
Antiviral Agents; Antiinfectives for Systemic Use; Dermatologicals; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; | Used to treat recurrent cold sores on the lips and face from various herpesvirus invections. |
| FDBD00195 | Ibutilide |
|
Anti-Arrhythmia Agents; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; | Indicated for the rapid conversion of atrial fibrillation or atrial flutter of recent onset to sinus rhythm. |
| FDBD00215 | Ethambutol |
|
Antitubercular Agents; Antimycobacterials; Antiinfectives for Systemic Use; Drugs for Treatment of Tuberculosis; | For use, as an adjunct, in the treatment of pulmonary tuberculosis. |
| FDBD00237 | Methylergometrine |
|
Oxytocics; Genito Urinary System and Sex Hormones; Uterotonics; Ergot Alkaloids; CYP3A4 Inhibitors; | For the prevention and control of excessive bleeding following vaginal childbirth. |
| FDBD00256 | Treprostinil |
|
Antithrombins; Anticoagulants; 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 use as a continuous subcutaneous infusion or intravenous infusion (for those not able to tolerate a subcutaneous infusion) for the treatment of pulmonary arterial hypertension in patients with NYHA Class II-IV symptoms to diminish symptoms associated with exercise. |
| FDBD00376 | Ritonavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indicated in combination with other antiretroviral agents for the treatment of HIV-infection. |
| FDBD00396 | Cinchocaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Amides; Analgesics and Anesthetics; Otologicals; | For production of local or regional anesthesia by infiltration techniques such as percutaneous injection and intravenous regional anesthesia by peripheral nerve block techniques such as brachial plexus and intercostal and by central neural techniques such as lumbar and caudal epidural blocks. |
39 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1esz_ligand_3_28.mol2 | 1esz | 1 | -6.36 | C(C)(CCO)C | 6 |
| 1fbm_ligand_3_19.mol2 | 1fbm | 1 | -6.22 | C(O)CC(C)C | 6 |
| 4f7n_ligand_3_25.mol2 | 4f7n | 1 | -6.13 | C(O)CCC | 5 |
| 1esz_ligand_2_9.mol2 | 1esz | 1 | -6.05 | C(C)CCO | 5 |
| 3egt_ligand_4_315.mol2 | 3egt | 1 | -5.99 | CCCCO | 5 |
| 4h5e_ligand_3_19.mol2 | 4h5e | 1 | -5.99 | OCCC(C)C | 6 |
| 3dzt_ligand_3_235.mol2 | 3dzt | 1 | -5.98 | CCCCO | 5 |
269 ,
27
