SB5

4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where SB5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	19

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Chemical Component Summary
Name	4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
Systematic Name (OpenEye OEToolkits)	4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-amine
Formula	C₁₇ H₁₆ F N₅
Molecular Weight	309.341
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc4ccc(c1ncn(c1c2nc(ncc2)N)CC3CC3)cc4
SMILES	CACTVS	3.341	Nc1nccc(n1)c2n(CC3CC3)cnc2c4ccc(F)cc4
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F
Canonical SMILES	CACTVS	3.341	Nc1nccc(n1)c2n(CC3CC3)cnc2c4ccc(F)cc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F
InChI	InChI	1.03	InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)
InChIKey	InChI	1.03	DFEYXQGDDCDXJK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03980
Name	4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole
Groups	experimental
Synonyms	4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Mitogen-activated protein kinase 14	MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV...	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