8CE

Soraprazan

Created:	2021-12-03
Last modified:	2022-01-05

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1 entries where 8CE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	3
Bond Count	55
Aromatic Bond Count	16

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Chemical Component Summary
Name	Soraprazan
Systematic Name (OpenEye OEToolkits)	(7~{R},8~{R},9~{R})-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
Formula	C₂₁ H₂₅ N₃ O₃
Molecular Weight	367.442
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COCCO[CH]1[CH](O)[CH](Nc2c1ccn3c(C)c(C)nc23)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(n2ccc3c(c2n1)NC(C(C3OCCOC)O)c4ccccc4)C
Canonical SMILES	CACTVS	3.385	COCCO[C@H]1[C@H](O)[C@H](Nc2c1ccn3c(C)c(C)nc23)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(n2ccc3c(c2n1)N[C@@H]([C@H]([C@@H]3OCCOC)O)c4ccccc4)C
InChI	InChI	1.03	InChI=1S/C21H25N3O3/c1-13-14(2)24-10-9-16-18(21(24)22-13)23-17(15-7-5-4-6-8-15)19(25)20(16)27-12-11-26-3/h4-10,17,19-20,23,25H,11-12H2,1-3H3/t17-,19-,20-/m1/s1
InChIKey	InChI	1.03	PWILYDZRJORZDR-MISYRCLQSA-N

Drug Info: DrugBank

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

DrugBank ID	DB17856
Name	Soraprazan
Groups	investigational
Synonyms	(7r,8r,9r)-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo(1,2-h)(1,7)naphtyridin-8-ol Soraprazan
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	261944-46-1

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
Potassium-transporting ATPase alpha chain 1	MGKAENYELYSVELGPGPGGDMAAKMSKKKKAGGGGGKRKEKLENMKKEM...	unknown	modulator
Potassium-transporting ATPase subunit beta	MAALQEKKTCGQRMEEFQRYCWNPDTGQMLGRTLSRWVWISLYYVAFYVV...	unknown	modulator

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