D26

PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE

Created:	2007-09-27
Last modified:	2011-06-04

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1 entries where D26 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	18

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Chemical Component Summary
Name	PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE
Systematic Name (OpenEye OEToolkits)	2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
Formula	C₁₂ H₉ N₃ S
Molecular Weight	227.285
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cc(sc1c2ccccc2)c3nncc3
SMILES	CACTVS	3.341	[nH]1ccc(n1)c2sc(nc2)c3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2ncc(s2)c3cc[nH]n3
Canonical SMILES	CACTVS	3.341	[nH]1ccc(n1)c2sc(nc2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2ncc(s2)c3cc[nH]n3
InChI	InChI	1.03	InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)
InChIKey	InChI	1.03	NRAHRUHGPGBWSI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07614
Name	PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE
Groups	experimental
Synonyms	PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hematopoietic prostaglandin D synthase	MPNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGK...	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