ZSB

(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide

Created:	2023-03-28
Last modified:	2023-07-26

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1 entries where ZSB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	2
Bond Count	62
Aromatic Bond Count	16

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Chemical Component Summary
Name	(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Synonyms	TAK-279
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{R},2~{R})-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxidanylidene-1-pyridin-2-yl-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula	C₂₃ H₂₄ N₈ O₃
Molecular Weight	460.488
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC1=CC=CN(c2ccccn2)C1=O)NC
SMILES	CACTVS	3.385	CNc1cc(NC2=CC=CN(C2=O)c3ccccn3)nc4n1ncc4C(=O)N[CH]5CC[CH]5OC
SMILES	OpenEye OEToolkits	2.0.7	CNc1cc(nc2n1ncc2C(=O)NC3CCC3OC)NC4=CC=CN(C4=O)c5ccccn5
Canonical SMILES	CACTVS	3.385	CNc1cc(NC2=CC=CN(C2=O)c3ccccn3)nc4n1ncc4C(=O)N[C@@H]5CC[C@H]5OC
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNc1cc(nc2n1ncc2C(=O)N[C@@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)c5ccccn5
InChI	InChI	1.06	InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1
InChIKey	InChI	1.06	BWINBHTTZLVXGT-NVXWUHKLSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB19278
Name	Zasocitinib
Groups	investigational
Synonyms	Zasocitinib
CAS number	2272904-53-5

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Non-receptor tyrosine-protein kinase TYK2	MPLRHWGMARGSKPVGDGAQPMAAMGGLKVLLHWAGPGGGEPWVTFSESS...	unknown	inhibitor

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