IQS

N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE

Created:	1999-07-08
Last modified:	2020-06-05

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1 entries where IQS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	11

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Chemical Component Summary
Name	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE
Synonyms	H-8
Systematic Name (OpenEye OEToolkits)	N-(2-methylaminoethyl)isoquinoline-5-sulfonamide
Formula	C₁₂ H₁₅ N₃ O₂ S
Molecular Weight	265.331
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1cccc2c1ccnc2)NCCNC
SMILES	CACTVS	3.341	CNCCN[S](=O)(=O)c1cccc2cnccc12
SMILES	OpenEye OEToolkits	1.5.0	CNCCNS(=O)(=O)c1cccc2c1ccnc2
Canonical SMILES	CACTVS	3.341	CNCCN[S](=O)(=O)c1cccc2cnccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNCCNS(=O)(=O)c1cccc2c1ccnc2
InChI	InChI	1.03	InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3
InChIKey	InChI	1.03	PJWUXKNZVMEPPH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07997
Name	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE
Groups	experimental
Synonyms	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
cAMP-dependent protein kinase catalytic subunit alpha	MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTL...	unknown
cAMP-dependent protein kinase inhibitor alpha	MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELALKLAGLDINKT...	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