8W7

(3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione

Created:	2017-03-08
Last modified:	2017-05-03

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4 entries where 8W7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	1
Bond Count	64
Aromatic Bond Count	12

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Chemical Component Summary
Name	(3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione
Systematic Name (OpenEye OEToolkits)	(3~{S})-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione
Formula	C₂₅ H₂₇ N₃ O₅
Molecular Weight	449.499
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(c2c(c1)C(N(C2)C3C(NC(CC3)=O)=O)=O)OCc5ccc(CN4CCOCC4)cc5
SMILES	CACTVS	3.385	O=C1CC[CH](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)C5CCC(=O)NC5=O
Canonical SMILES	CACTVS	3.385	O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(c(c1)OCc3ccc(cc3)CN4CCOCC4)CN(C2=O)[C@H]5CCC(=O)NC5=O
InChI	InChI	1.03	InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1
InChIKey	InChI	1.03	IXZOHGPZAQLIBH-NRFANRHFSA-N

Drug Info: DrugBank

DrugBank ID	DB12101
Name	Iberdomide
Groups	investigational
Description	Iberdomide (CC-220) has been used in trials studying the treatment of Systemic Lupus Erythematosus.
Synonyms	Iberdomide 2,6-Piperidinedione, 3-(1,3-dihydro-4-((4-(4-morpholinylmethyl)phenyl)methoxy)-1-oxo-2H-isoindol-2-yl)-, (3S)- (S)-3-(4-((4-(Morpholinomethyl)benzyl)oxy)-1-oxoisoindolin-2-yl)piperidine-2,6-dione
Categories	Acids, Carbocyclic Heterocyclic Compounds, Fused-Ring Imides Isoindoles Oxazines Phthalic Acids Piperidines
CAS number	1323403-33-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Protein cereblon	MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFD...	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