I40

9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE

Created:	1999-11-17
Last modified:	2011-06-04

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1 entries where I40 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	17

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Chemical Component Summary
Name	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
Systematic Name (OpenEye OEToolkits)	N-[(3-iodophenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
Formula	C₂₀ H₁₉ I N₂
Molecular Weight	414.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic1cccc(c1)CNc2c4c(nc3c2CCCC3)cccc4
SMILES	CACTVS	3.341	Ic1cccc(CNc2c3CCCCc3nc4ccccc24)c1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I
Canonical SMILES	CACTVS	3.341	Ic1cccc(CNc2c3CCCCc3nc4ccccc24)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c3c(n2)CCCC3)NCc4cccc(c4)I
InChI	InChI	1.03	InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23)
InChIKey	InChI	1.03	ZUCWQTWGZGIYPV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07940
Name	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
Groups	experimental
Synonyms	9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cholinesterase	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...	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