Drug group Drug name CAS no. for QSAR analysis CAS no. for experimental assay Classification
Alpha blockers Tolazoline* 59-98-3 59-97-2 neg
Angiotensin II receptor antagonisms Irbesartan 138402-11-6 ª neg
Losartan 114798-26-4 ª neg
Valsartan 137862-53-4 ª neg
Telmisartan 144701-48-4 ª neg
Eprosartan 133040-01-4 ª neg
Antiarrhythmics Amiodaron 1951-25-3 ª AR antagonism, low
Disopyramid 3737-09-5 ª neg
Propafenon 54063-53-5 34183-22-7 neg
Sotalol 3930-20-9 959-24-0 neg
Flecainid 54143-55-4 54143-56-5 neg
Lidocain 137-58-6 ª neg
Mexiletin 31828-71-4 ª neg
Phenytoin 57-41-0 ª neg
Verapamil 52-53-9 152-11-4 tox
Hydroquinidine 1435-55-8 ª neg
Procainamide 51-06-9 614-39-1 neg
Quinidine 56-54-2 ª neg
Tocainide 41708-72-9 71395-14-7 neg
Bretylium 59-41-6 61-75-6 neg
Acecainide 32795-44-1 ª neg
Dofetilide 115256-11-6 ª neg
Ibutilide 122647-31-8 122647-32-9 neg
Lipid-regulating, statins Atorvastatin 134523-00-5 134523-03-8 tox
Fluvastatin 93957-54-1 93957-55-2 tox
Lovastatin 75330-75-5 ª AR antagonism, high
Pravastatin 81093-37-0 81131-70-6 neg
Simvastatin 79902-63-9 ª AR antagonism, high
Mevastatin 73573-88-3 ª AR antagonism, moderate
Lipid-regulating, fibrates Benzafibrat 41859-67-0 ª neg
Gemfibrozil 25812-30-0 ª neg
Ciprofibrate 52214-84-3 ª neg
Clofibrate 637-07-0 ª neg
Fenofibrate 49562-28-9 ª neg
Lipid-regulating, nicotinates Acipimox 51037-30-0 ª neg
Lipid-regulating, bile acid-binding resins Colestipol 37296-80-3 ª neg
Triglyceridereducing, Polyunsaturated fatty acids Docosahexaenoic acid 6217-54-5 ª AR antagonism, low
Eicisapentaenoic acid 10417-94-4 ª neg
Vasodilators, direct-acting Diazoxide 364-98-7 ª neg
Hydralazine 86-54-4 304-20-1 neg
Minoxidil 38304-91-5 ª neg
Todralazine 3778-76-5 ª neg
Vasodilators, ischaemic heart disease Dilazep 35898-87-4 ª AR antagonism, moderate
Vasodilators, cerebral, peripheral vascular disorders Buflomedil 55837-25-7 35543-24-9 neg
Cyclandelate 456-59-7 ª neg
Fasudil 103745-39-7 203911-27-7 neg
Ifenprodil 23210-56-2 ª neg
Inositol nicotinate 6556-11-2 ª neg
Nicotinyl alcohol 100-55-0 ª neg
Pentifylline 1028-33-7 ª neg
Pentoxifylline 6493-05-6 ª neg
*also a Vasodilator, direct acting
Table 1: Cardiovascular drugs: The name and CAS number of each drug as well as the classification of the drug as positive (AR antagonism), negative or toxic are shown. The drugs were tested at 1, 3, 10, and 30 然. Potency codes for positive drugs were as follows: high, 0.3 然 < IC25 = 1 然 ; moderate, 1 然 < IC25 = 3 然 ; low, 3 然 < IC25 = 10 然; neg, negative chemicals; tox, cytotoxic chemicals. Non-cytotoxic chemicals identified low high were classified as positive for AR antagonism. For some drugs, two CAS nos. are given, one for QSAR use and one for the experimental assay, i.e. only non-salts versions of drugs are used for QSAR modeling. 杭AS no. identical with CAS no. for QSAR analysis.