PBN

4-PHENYLBUTYLAMINE

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

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2 entries where PBN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-PHENYLBUTYLAMINE
Systematic Name (OpenEye OEToolkits)	4-phenylbutan-1-amine
Formula	C₁₀ H₁₅ N
Molecular Weight	149.233
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c1ccccc1CCCCN
SMILES	CACTVS	3.341	NCCCCc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCCCN
Canonical SMILES	CACTVS	3.341	NCCCCc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCCCN
InChI	InChI	1.03	InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKey	InChI	1.03	AGNFWIZBEATIAK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04311
Name	4-Phenylbutylamine
Groups	experimental
Synonyms	4-Phenylbutylamine
Categories	Alkanes Amines Butanes Hydrocarbons, Acyclic

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Trypsin-1	MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...	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