Responsive image

Common name

benzene

IUPAC name

benzene

SMILES

c1ccccc1

Common name

benzene

IUPAC name

benzene

SMILES

c1ccccc1

INCHI

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

FORMULA

C6H6

Responsive image

Common name

benzene

IUPAC name

benzene





Molecular weight

78.112

clogP

2.116

clogS

-1.364

Frequency

0.2824





HBond Acceptor

0

HBond Donor

0

Total Polar
Surface Area

0

Number of Rings

1

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00527 Trimethobenzamide Responsive image Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; For the treatment of postoperative nausea and vomiting and for nausea associated with gastroenteritis.
FDBD00538 Aprepitant Responsive image Antiemetics; Alimentary Tract and Metabolism; Antiemetics and Antinauseants; 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; CYP3A4 Inhibitors; Neurokinin-1 Receptor Antagonists; For the prevention of nausea and vomiting associated with highly emetogenic cancer chemotherapy, including high-dose cisplatin (in combination with other antiemetic agents).
FDBD00540 Tamoxifen Responsive image Antineoplastic Agents, Hormonal; Bone Density Conservation Agents; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Estrogens; 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; BSEP/ABCB11 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; Tamoxifen is indicated for the treatment of metastatic breast cancer in women and men and ductal carcinoma in Situ.
FDBD00541 Benzyl Benzoate Responsive image Insecticides; Acaricides; Antiparasitic Products, Insecticides and Repellents; Ectoparasiticides, Incl. Scabicides; Ectoparasiticides, Incl. Scabicides, Insecticides and Repellents; Used to kill lice and the mites responsible for the skin condition scabies.
FDBD00543 Losartan Responsive image Antihypertensive Agents; Anti-Arrhythmia Agents; Angiotensin II Type 1 Receptor Blockers; Angiotensin Receptor Antagonists; Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Angiotensin II Antagonists and Calcium Channel Blockers; 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; CYP3A4 Inhibitors; Angiotensin II Receptor Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein; May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Losartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors.
FDBD00547 Warfarin Responsive image Anticoagulants; Rodenticides; Antithrombotic Agents; Blood and Blood Forming Organs; Vitamin K Antagonists; 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; CYP3A4 Inhibitors; For the treatment of retinal vascular occlusion, pulmonary embolism, cardiomyopathy, atrial fibrillation and flutter, cerebral embolism, transient cerebral ischaemia, arterial embolism and thrombosis.
FDBD00554 Cephaloglycin Responsive image Anti-Bacterial Agents; Cephalosporins; For treatment of severe infections caused by susceptible bacteria.
FDBD00556 Moexipril Responsive image Angiotensin-Converting Enzyme Inhibitors; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics; For the treatment of hypertension.
FDBD00561 Ergotamine Responsive image For use as therapy to abort or prevent vascular headache, e.g., migraine, migraine variants, or so called ;
FDBD00566 Amprenavir Responsive image Anti-HIV Agents; Antibiotics, Antitubercular; Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals 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); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the treatment of HIV-1 infection in combination with other antiretroviral agents.
822 , 83
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4i7j_ligand_frag_0.mol2 4i7j 1 -6.96 c1ccccc1 6
4i7j_ligand.mol2 4i7j 1 -6.96 c1ccccc1 7
4w52_ligand_frag_0.mol2 4w52 1 -6.95 c1ccccc1 6
4w52_ligand.mol2 4w52 1 -6.95 c1ccccc1 7
1fl3_ligand_frag_0.mol2 1fl3 1 -6.92 c1ccccc1 6
220l_ligand_frag_0.mol2 220l 1 -6.92 c1ccccc1 6
220l_ligand.mol2 220l 1 -6.92 c1ccccc1 7
223l_ligand_frag_0.mol2 223l 1 -6.92 c1ccccc1 6
223l_ligand.mol2 223l 1 -6.92 c1ccccc1 7
4w55_ligand_frag_2.mol2 4w55 1 -6.92 c1ccccc1 6
5255 , 526