Common name
4-chlorophenol
IUPAC name
4-chlorophenol
SMILES
Oc1ccc(cc1)Cl
Common name
4-chlorophenol
IUPAC name
4-chlorophenol
SMILES
Oc1ccc(cc1)Cl
INCHI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
FORMULA
C6H5ClO
Common name
4-chlorophenol
IUPAC name
4-chlorophenol
Molecular weight
128.556
clogP
2.061
clogS
-1.793
Frequency
0.0072
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 |
|---|---|---|---|---|
| FDBD00501 | Clofibrate |
|
Anticholesteremic Agents; Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; 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); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For Primary Dysbetalipoproteinemia (Type III hyperlipidemia) that does not respond adequately to diet. This helps control high cholesterol and high triglyceride levels. |
| FDBD00716 | Chlorphenesin |
|
Muscle Relaxants, Central; Dermatologicals; Antifungals for Topical Use; Antifungals for Dermatological Use; CYP3A4 Inhibitors; | Used along with rest and physical therapy to treat injuries and other painful muscular conditions. Investigated for use in trigeminal neuralgia (tic douloureux); a neuropathic disorder characterized by severe facial pain. Was investigated as a modulator of histamine release. |
| FDBD01495 | Niclosamide |
|
Antinematodal Agents; Anthelmintics; Anticestodal Agents; Antiparasitic Products, Insecticides and Repellents; Phenol Derivatives, Incl. Salicylanilides; Salicylic Acid Derivatives; Anticestodals; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Molluscacides; | For the treatment of tapeworm and intestinal fluke infections: Taenia saginata (Beef Tapeworm), Taenia solium (Pork Tapeworm), Diphyllobothrium latum (Fish Tapeworm), Fasciolopsis buski (large intestinal fluke). Niclosamide is also used as a molluscicide in the control of schistosomiasis. |
| FDBD01607 | Etofibrate |
|
Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; | |
| FDBD02305 | flufenprox |
|
Insecticide | Insecticide |
| FDBD02320 | sulcofuron |
|
Insecticide | Insecticide |
| FDBD02347 | rafoxanide |
|
Insecticide | Insecticide |
| FDBD02506 | profoxydim |
|
Herbicide | Herbicide |
| FDBD02538 | ethoxyfen |
|
Herbicide | Herbicide |
| FDBD02620 | 4-CPA |
|
Herbicide | Herbicide |
21 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh7_ligand_1_0.mol2 | 3fh7 | 1 | -7.00 | c1cc(Cl)ccc1O | 8 |
| 5aom_ligand_frag_0.mol2 | 5aom | 1 | -6.94 | Clc1ccc(cc1)O | 8 |
| 4dt6_ligand_1_6.mol2 | 4dt6 | 1 | -6.89 | Oc1ccc(Cl)cc1 | 8 |
| 3drs_ligand_1_3.mol2 | 3drs | 1 | -6.87 | Oc1ccc(Cl)cc1 | 8 |
| 5ale_ligand_frag_0.mol2 | 5ale | 1 | -6.86 | c1cc(ccc1Cl)O | 8 |
| 3c6u_ligand_1_1.mol2 | 3c6u | 1 | -6.85 | c1c(ccc(c1)O)Cl | 8 |
| 3drp_ligand_1_2.mol2 | 3drp | 1 | -6.83 | Oc1ccc(Cl)cc1 | 8 |
| 830c_ligand_1_0.mol2 | 830c | 1 | -6.83 | c1cc(ccc1Cl)O | 8 |
| 4dum_ligand_1_5.mol2 | 4dum | 1 | -6.81 | Oc1ccc(Cl)cc1 | 8 |
109 ,
11
