D2G

N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE

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

Find Related PDB Entry
1 entries where D2G 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	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	12

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
Systematic Name (OpenEye OEToolkits)	N-methyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine
Formula	C₁₁ H₁₂ N₂ O
Molecular Weight	188.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2cccc(c1oc(cc1)CNC)c2
SMILES	CACTVS	3.341	CNCc1oc(cc1)c2cccnc2
SMILES	OpenEye OEToolkits	1.5.0	CNCc1ccc(o1)c2cccnc2
Canonical SMILES	CACTVS	3.341	CNCc1oc(cc1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNCc1ccc(o1)c2cccnc2
InChI	InChI	1.03	InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3
InChIKey	InChI	1.03	MDGMPFRIYUFRRX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07617
Name	N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
Groups	experimental
Synonyms	N-METHYL(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