PHN

1,10-PHENANTHROLINE

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

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15 entries where PHN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	16

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Chemical Component Summary
Name	1,10-PHENANTHROLINE
Systematic Name (OpenEye OEToolkits)	1,10-phenanthroline
Formula	C₁₂ H₈ N₂
Molecular Weight	180.205
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c3c(ccc1)ccc2cccnc23
SMILES	CACTVS	3.341	c1cnc2c(c1)ccc3cccnc23
SMILES	OpenEye OEToolkits	1.5.0	c1cc2ccc3cccnc3c2nc1
Canonical SMILES	CACTVS	3.341	c1cnc2c(c1)ccc3cccnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2ccc3cccnc3c2nc1
InChI	InChI	1.03	InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
InChIKey	InChI	1.03	DGEZNRSVGBDHLK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02365
Name	1,10-Phenanthroline
Groups	experimental
Synonyms	O-Phenanthroline 1,10-Phenanthroline
Categories	Chelating Agents Cholinergic Agents Cholinesterase Inhibitors Compounds used in a research, industrial, or household setting Cross-Linking Reagents Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Indicators and Reagents Intercalating Agents Iron Chelating Agents Laboratory Chemicals Neurotransmitter Agents Sequestering Agents
CAS number	66-71-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Metallo-beta-lactamase L1	MRSTLLAFALAVALPAAHTSAAEVPLPQLRAYTVDASWLQPMAPLQIADH...	unknown
Methyl-accepting chemotaxis protein II	MFNRIRVVTMLMMVLGVFALLQLVSGGLLFSSLQHNQQGFVISNELRQQQ...	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

Related Resource References

Resource Name	Reference
PubChem	1318
ChEMBL	CHEMBL415879
ChEBI	CHEBI:44975
CCDC/CSD	ADEQUW, ADEQUW01
COD	2209490, 2238148, 2223960, 2238552, 2205738, 4510920, 4125522, 7222064, 2212366, 4125817, 7214769, 7214770, 7222059, 2226216, 7221827, 7222447, 7222060, 7222446