D1G

N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE

Created:	2005-12-15
Last modified:	2011-06-04

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1 entries where D1G is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

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Chemical Component Summary
Name	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
Systematic Name (OpenEye OEToolkits)	N,N-dimethyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine
Formula	C₁₂ H₁₄ N₂ O
Molecular Weight	202.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2cccc(c1oc(cc1)CN(C)C)c2
SMILES	CACTVS	3.341	CN(C)Cc1oc(cc1)c2cccnc2
SMILES	OpenEye OEToolkits	1.5.0	CN(C)Cc1ccc(o1)c2cccnc2
Canonical SMILES	CACTVS	3.341	CN(C)Cc1oc(cc1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN(C)Cc1ccc(o1)c2cccnc2
InChI	InChI	1.03	InChI=1S/C12H14N2O/c1-14(2)9-11-5-6-12(15-11)10-4-3-7-13-8-10/h3-8H,9H2,1-2H3
InChIKey	InChI	1.03	PJHSLLRNPASXIS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07609
Name	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
Groups	experimental
Synonyms	N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytochrome P450 2A6	MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLN...	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