Common name
1-chloro-4-methyl-benzene
IUPAC name
1-chloro-4-methyl-benzene
SMILES
Cc1ccc(cc1)Cl
Common name
1-chloro-4-methyl-benzene
IUPAC name
1-chloro-4-methyl-benzene
SMILES
Cc1ccc(cc1)Cl
INCHI
InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
FORMULA
C7H7Cl
Common name
1-chloro-4-methyl-benzene
IUPAC name
1-chloro-4-methyl-benzene
Molecular weight
126.583
clogP
2.993
clogS
-2.753
Frequency
0.0113
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 |
|---|---|---|---|---|
| FDBD00070 | Baclofen |
|
Muscle Relaxants, Central; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; GABA-B Receptor Agonists; | For the alleviation of signs and symptoms of spasticity resulting from multiple sclerosis, particularly for the relief of flexor spasms and concomitant pain, clonus, and muscular rigidity. |
| FDBD00226 | Cetirizine |
|
Anti-Allergic Agents; Histamine H1 Antagonists, Non-Sedating; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Piperazine Derivatives; | For the relief of symptoms associated with seasonal allergic rhinitis, perennial allergic rhinitis and the treatment of the uncomplicated skin manifestations of chronic idiopathic urticaria. |
| FDBD00238 | Buclizine |
|
Cholinergic Antagonists; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Piperazine Derivatives; | For prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness and vertigo (dizziness caused by other medical problems). |
| FDBD00424 | Hydroxyzine |
|
Hypnotics and Sedatives; Antipruritics; Histamine H1 Antagonists; Nervous System; Anxiolytics; Psycholeptics; Diphenylmethane Derivatives; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For symptomatic relief of anxiety and tension associated with psychoneurosis and as an adjunct in organic disease states in which anxiety is manifested. Useful in the management of pruritus due to allergic conditions such as chronic urticaria. |
| FDBD00504 | Butoconazole |
|
Antifungal Agents; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Imidazole Derivatives; | For the local treatment of vulvovaginal candidiasis (infections caused by Candida). |
| FDBD00513 | Mitotane |
|
Antineoplastic Agents; Antineoplastic Agents, Hormonal; Antineoplastic and Immunomodulating Agents; | For treatment of inoperable adrenocortical tumours; Cushing's syndrome. |
| FDBD00601 | Meclizine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Histamine Antagonists; Antiemetics; Respiratory System; Antihistamines for Systemic Use; Piperazine Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For the prevention and treatment of nausea, vomiting, or dizziness associated with motion sickness. |
| FDBD00612 | Carbinoxamine |
|
Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 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; | For symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. Also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema. |
| FDBD00826 | Azelastine |
|
Anti-Allergic Agents; Lipoxygenase Inhibitors; Bronchodilator Agents; Histamine H1 Antagonists, Non-Sedating; Respiratory System; Ophthalmologicals; Sensory Organs; Nasal Preparations; Antihistamines for Systemic Use; Decongestants and Antiallergics; Antiallergic Agents, Excl. Corticosteroids; 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; 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); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the symptomatic treatment of seasonal allergic rhinitis and non-allergic rhinitis, as well as symptomatic relief of ocular itching associated with allergic conjunctivitis. |
| FDBD00963 | Chlorphenamine |
|
Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of rhinitis, urticaria, allergy, common cold, asthma and hay fever. |
33 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mdn_ligand_1_6.mol2 | 4mdn | 1 | -7.20 | c1(ccc(cc1)Cl)C | 8 |
| 4cl6_ligand_1_1.mol2 | 4cl6 | 1 | -7.15 | Clc1ccc(cc1)C | 8 |
| 4b81_ligand_1_5.mol2 | 4b81 | 1 | -6.93 | Cc1ccc(cc1)Cl | 8 |
| 1zgv_ligand_frag_0.mol2 | 1zgv | 1 | -6.86 | c1c(ccc(c1)Cl)C | 8 |
| 2xae_ligand_1_3.mol2 | 2xae | 1 | -6.82 | Cc1ccc(cc1)Cl | 8 |
| 5em5_ligand_1_5.mol2 | 5em5 | 1 | -6.81 | Cc1ccc(cc1)Cl | 8 |
| 1pzo_ligand_1_0.mol2 | 1pzo | 1 | -6.77 | Clc1ccc(cc1)C | 8 |
121 ,
13
