NRD

(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid

Created:	2015-11-16
Last modified:	2016-01-20

Find Related PDB Entry
3 entries where NRD 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	33
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
Systematic Name (OpenEye OEToolkits)	(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
Formula	C₆ H₁₇ N O₇ P₂
Molecular Weight	277.149
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.4	C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN
Canonical SMILES	CACTVS	3.385	NCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN
InChI	InChI	1.03	InChI=1S/C6H17NO7P2/c7-5-3-1-2-4-6(8,15(9,10)11)16(12,13)14/h8H,1-5,7H2,(H2,9,10,11)(H2,12,13,14)
InChIKey	InChI	1.03	PUUSSSIBPPTKTP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11620
Name	Neridronic Acid
Groups	investigational experimental
Synonyms	Neridronic Acid (6-amino-1-hydroxyhexylidene)diphosphonic acid Neridronate Neridronate sodium
Categories	Organophosphonates Organophosphorus Compounds
CAS number	79778-41-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Farnesyl pyrophosphate synthase	MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCW...	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