GF4

4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one

Created:	2009-02-05
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where GF4 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	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one
Systematic Name (OpenEye OEToolkits)	4-ethyl-5-methyl-2-(1H-1,2,3,4-tetrazol-5-yl)-1H-pyrazol-3-one
Formula	C₇ H₁₀ N₆ O
Molecular Weight	194.194
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2C(=C(NN2c1nnnn1)C)CC
SMILES	CACTVS	3.341	CCC1=C(C)NN(C1=O)c2[nH]nnn2
SMILES	OpenEye OEToolkits	1.5.0	CCC1=C(NN(C1=O)c2[nH]nnn2)C
Canonical SMILES	CACTVS	3.341	CCC1=C(C)NN(C1=O)c2[nH]nnn2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCC1=C(NN(C1=O)c2[nH]nnn2)C
InChI	InChI	1.03	InChI=1S/C7H10N6O/c1-3-5-4(2)10-13(6(5)14)7-8-11-12-9-7/h10H,3H2,1-2H3,(H,8,9,11,12)
InChIKey	InChI	1.03	WAVWUEFMWJZZFB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07824
Name	4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one
Groups	experimental
Synonyms	4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase	MVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGV...	unknown
Beta-lactamase	MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIY...	unknown

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