TLX

N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where TLX is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	2
Bond Count	44
Aromatic Bond Count	0

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Chemical Component Summary
Name	N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE
Systematic Name (OpenEye OEToolkits)	(2S)-1-[(1S,5S,8aR)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[2,1-b]pyrimidin-1-yl]-4-methyl-pentan-2-amine
Formula	C₁₃ H₂₇ N₃
Molecular Weight	225.374
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N21CCCC1N(CCC2)CC(N)CC(C)C
SMILES	CACTVS	3.341	CC(C)C[CH](N)CN1CCCN2CCC[CH]12
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CC(CN1CCCN2C1CCC2)N
Canonical SMILES	CACTVS	3.341	CC(C)C[C@H](N)CN1CCCN2CCC[C@@H]12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)C[C@@H](C[N@@]1CCC[N@]2[C@H]1CCC2)N
InChI	InChI	1.03	InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1
InChIKey	InChI	1.03	SOQLOPQBSFMPNJ-QWHCGFSZSA-N

Drug Info: DrugBank

DrugBank ID	DB08629
Name	N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE
Groups	experimental
Synonyms	N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE

Drug Targets

Name	Target Sequence	Pharmacological Action
ATP synthase subunit alpha, mitochondrial	MLSVRVAAAVVRALPRRAGLVSRNALGSSFIAARNFHASNTHLQKTGTAE...	unknown
ATP synthase subunit beta, mitochondrial	MLGFVGRVAAAPASGALRRLTPSASLPPAQLLLRAAPTAVHPVRDYAAQT...	unknown
ATP synthase subunit gamma, mitochondrial	MFSRAGVAGLSAWTLQPQWIQVRNMATLKDITRRLKSIKNIQKITKSMKM...	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