Common name
o-cresol
IUPAC name
o-cresol
SMILES
c1c(c(ccc1)O)C
Common name
o-cresol
IUPAC name
o-cresol
SMILES
c1c(c(ccc1)O)C
INCHI
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
FORMULA
C7H8O
Common name
o-cresol
IUPAC name
o-cresol
Molecular weight
108.138
clogP
1.874
clogS
-1.538
Frequency
0.0058
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00108 | Nelfinavir |
|
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 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; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used in combination with other antiviral drugs in the treatment of HIV in both adults and children. |
| FDBD00176 | Atomoxetine |
|
Adrenergic Uptake Inhibitors; Antidepressive Agents; Nervous System; Psychoanaleptics; Centrally Acting Sympathomimetics; Psychostimulants, Agents Used for Adhd and Nootropics; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of Attention-Deficit/Hyperactivity Disorder (ADHD) alone or in combination with behavioral treatment, as an adjunct to psychological, educational, social, and other remedial measures. |
| FDBD00478 | Amodiaquine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For treatment of acute malarial attacks in non-immune subjects. |
| FDBD00726 | Alprenolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, angina, and arrhythmia. |
| FDBD00903 | Novobiocin |
|
Enzyme Inhibitors; Anti-Bacterial Agents; Nucleic Acid Synthesis Inhibitors; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; BSEP/ABCB11 Inhibitors; | For the treatment of infections due to staphylococci and other susceptible organisms. |
| FDBD01416 | Tyloxapol |
|
Surface-Active Agents; Expectorants; Detergents; Cough and Cold Preparations; Respiratory System; | Used as a surfactant to aid liquefaction and removal of mucopurulent (containing mucus and pus) bronchopulmonary secretions, administered by inhalation through a nebulizer or with a stream of oxygen. Also investigated for use/treatment in cystic fibrosis and pediatric indications. |
| FDBD01848 | carvacrol |
|
Insecticide | Insecticide |
| FDBD02500 | tolpyralate |
|
Herbicide | Herbicide |
| FDBD02669 | credazine |
|
Herbicide | Herbicide |
| FDBD02670 | cyclopyrimorate |
|
Herbicide | Herbicide |
17 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4i7m_ligand_1_0.mol2 | 4i7m | 1 | -7.18 | Cc1c(cccc1)O | 8 |
| 4ckr_ligand_1_6.mol2 | 4ckr | 1 | -6.92 | c1ccc(c(c1)O)C | 8 |
| 3dcv_ligand_frag_1.mol2 | 3dcv | 1 | -6.88 | c1cc(c(cc1)O)C | 8 |
| 4o91_ligand_1_1.mol2 | 4o91 | 1 | -6.84 | Oc1c(C)cccc1 | 8 |
| 2aou_ligand_1_2.mol2 | 2aou | 1 | -6.79 | Cc1c(cccc1)O | 8 |
| 3acx_ligand_2_11.mol2 | 3acx | 1 | -6.78 | Cc1c(cccc1)O | 8 |
| 1q4x_ligand_1_1.mol2 | 1q4x | 1 | -6.72 | c1(ccccc1O)C | 8 |
102 ,
11
