ALH

6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE

Created:	2003-09-09
Last modified:	2020-06-05

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1 entries where ALH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	17

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Chemical Component Summary
Name	6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE
Synonyms	ALOISINE A
Systematic Name (OpenEye OEToolkits)	4-(7-butyl-5H-pyrrolo[4,5-b]pyrazin-6-yl)phenol
Formula	C₁₆ H₁₇ N₃ O
Molecular Weight	267.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c3c(ncc1)c(c(c2ccc(O)cc2)n3)CCCC
SMILES	CACTVS	3.341	CCCCc1c([nH]c2nccnc12)c3ccc(O)cc3
SMILES	OpenEye OEToolkits	1.5.0	CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2
Canonical SMILES	CACTVS	3.341	CCCCc1c([nH]c2nccnc12)c3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2
InChI	InChI	1.03	InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)
InChIKey	InChI	1.03	PRIGRJPRGZCFAS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07364
Name	6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE
Groups	experimental
Synonyms	6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 5	MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALR...	unknown
Cyclin-dependent kinase 5 activator 1	MGTVLSLSPSYRKATLFEDGAATVGHYTAVQNSKNAKDKNLKRHSIISVL...	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