P1Z

4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE

Created:	2005-07-26
Last modified:	2011-06-04

Find Related PDB Entry
5 entries where P1Z is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	12

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
Systematic Name (OpenEye OEToolkits)	4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
Formula	C₁₉ H₂₀ N₂ O₂
Molecular Weight	308.374
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3
SMILES	CACTVS	3.341	CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
Canonical SMILES	CACTVS	3.341	CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
InChI	InChI	1.03	InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey	InChI	1.03	VYMDGNCVAMGZFE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00812
Name	Phenylbutazone
Groups	approved vet_approved
Description	A drug that has anti-inflammatory, antipyretic, and analgesic activities. It is especially effective in the treatment of ankylosing spondylitis. It also is useful in rheumatoid arthritis and Reiter's syndrome (investigational indication). Although phenylbutazone is effective in gouty arthritis, risk/benefit considerations indicate that this drug should not be employed for this disease. (From AMA Drug Evaluations Annual, 1994, p1822)
Synonyms	4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione Fenilbutazona Phénylbutazone Phenbutazone Phenylbutazon Phenylbutazonum 3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine Phenylbutazone 4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione
Brand Names	Phenylone Plus Tab Apo Phenylbutazone Tab 100mg Alka Phenyl Tab Novo-butazone Tab 100mg Alka Phenylbutazone Tab
Indication	For the treatment of backache and ankylosing spondylitis
Categories	Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antiinflammatory Preparations, Non-Steroids for Topical Use Antirheumatic Agents Butylpyrazolidines Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Musculo-Skeletal System Nephrotoxic agents Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors Peripheral Nervous System Agents Pyrazoles Pyrazolones Sensory System Agents Topical Products for Joint and Muscular Pain
ATC-Code	M01BA01 M01AA01 M02AA01
CAS number	50-33-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin G/H synthase 1	MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...	unknown	inhibitor
Prostaglandin G/H synthase 2	MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFY...	unknown	inhibitor
Prostacyclin synthase	MAWAALLGLLAALLLLLLLSRRRTRRPGEPPLDLGSIPWLGYALDFGKDA...	unknown	inhibitor
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	inducer
Cytochrome P450 2C9	MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI...	unknown	substrate,inhibitor
Solute carrier family 22 member 6	MAFNDLLQQVGGVGRFQQIQVTLVVLPLLLMASHNTLQNFTAAIPTHHCR...	unknown	inhibitor
Organic anion transporter 3	MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCR...	unknown	inhibitor
Solute carrier family 22 member 11	MAFSKLLEQAGGVGLFQTLQVLTFILPCLMIPSQMLLENFSAAIPGHRCW...	unknown	inhibitor
View More

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682