FR0

N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE

Created:	2002-12-13
Last modified:	2021-03-01

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1 entries where FR0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	21

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Chemical Component Summary
Name	N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE
Synonyms	FR117016
Systematic Name (OpenEye OEToolkits)	2-[4-[5-[(1H-benzimidazol-2-ylamino)methyl]thiophen-2-yl]-1,3-thiazol-2-yl]guanidine
Formula	C₁₆ H₁₅ N₇ S₂
Molecular Weight	369.467
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N(=C(/N)N)\c4nc(c1sc(cc1)CNc2nc3ccccc3n2)cs4
SMILES	CACTVS	3.341	NC(N)=Nc1scc(n1)c2sc(CNc3[nH]c4ccccc4n3)cc2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N
Canonical SMILES	CACTVS	3.341	NC(N)=Nc1scc(n1)c2sc(CNc3[nH]c4ccccc4n3)cc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N
InChI	InChI	1.03	InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23)
InChIKey	InChI	1.03	CKJGKHXCUDWFDC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB02616
Name	FR117016
Groups	experimental
Synonyms	FR117016

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Adenosine deaminase	MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVI...	unknown	inhibitor

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