Common name
pentan-1-ol
IUPAC name
pentan-1-ol
SMILES
OCCCCC
Common name
pentan-1-ol
IUPAC name
pentan-1-ol
SMILES
OCCCCC
INCHI
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
FORMULA
C5H12O
Common name
pentan-1-ol
IUPAC name
pentan-1-ol
Molecular weight
88.148
clogP
0.853
clogS
-1.210
Frequency
0.0038
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00246 | Anidulafungin |
|
Antifungal Agents; Antiinfectives for Systemic Use; Antimycotics for Systemic Use; | For use in the treatment of the following fungal infections: Candidemia and other forms of . |
| FDBD00602 | Pentamidine |
|
Antifungal Agents; Antiprotozoal Agents; Trypanocidal Agents; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Agents Against Leishmaniasis and Trypanosomiasis; Aromatic Diamidines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of pneumonia due to . |
| FDBD00793 | Salmeterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; Beta2 Agonists; | For the treatment of asthma and chronic obstructive pulmonary disease (COPD). |
| FDBD00989 | Micafungin |
|
Antifungal Agents; Antiinfectives for Systemic Use; Antimycotics for Systemic Use; | For use in the treatment of candidemia, acute disseminated candidiasis, and certain other invasive . |
| FDBD01262 | Amyl Nitrite |
|
Vasodilator Agents; Antidotes; | For the rapid relief of angina pectoris. |
| FDBD01664 | Idebenone |
|
Nervous System; Psychoanaleptics; Psychostimulants, Agents Used for Adhd and Nootropics; | |
| FDBD01665 | Vilanterol |
|
Immunosuppressive Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Adrenergics, Inhalants; CYP3A4 Inhibitors; Beta2 Agonists; | Vilanterol is approved for use in several combination products such as with fluticasone furoate under the tradename Breo Ellipta and in combination with umeclidinium bromide as Anoro Ellipta. Approved by the FDA in 2013, use of Breo Ellipta is indicated for the long-term, once-daily maintenance treatment of airflow obstruction in patients with COPD, including chronic bronchitis and emphysema. It is also indicated for once-daily maintenance treatment of asthma in patients aged 18 or older with reversible obstructive airways disease. |
| FDBD01985 | epofenonane |
|
Insecticide | Insecticide |
| FDBD02967 | aureofungin |
|
Fungicide | Fungicide |
| FDBD03063 | hexaconazole |
|
Fungicide | Fungicide |
11 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fbm_ligand_4_14.mol2 | 1fbm | 1 | -6.40 | C(O)C[C@@H](C)CC | 7 |
| 2p4j_ligand_3_342.mol2 | 2p4j | 1 | -6.39 | C(C(C)C)CCO | 7 |
| 4trw_ligand_3_934.mol2 | 4trw | 1 | -6.36 | C(O)CCC(C)C | 7 |
| 4f7n_ligand_4_20.mol2 | 4f7n | 1 | -6.35 | C(O)CCCC | 6 |
| 2g94_ligand_3_652.mol2 | 2g94 | 1 | -6.27 | C(CO)CC(C)C | 7 |
| 1ym4_ligand_3_123.mol2 | 1ym4 | 1 | -6.26 | C(C)(C)CCCO | 7 |
| 3egt_ligand_5_456.mol2 | 3egt | 1 | -6.23 | C(CCCO)C | 6 |
139 ,
14
