8W8

2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide

Created:	2017-03-16
Last modified:	2017-10-04

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1 entries where 8W8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	2
Bond Count	59
Aromatic Bond Count	22

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Chemical Component Summary
Name	2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide
Systematic Name (OpenEye OEToolkits)	2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide
Formula	C₂₅ H₂₁ F₄ N₃ O₃
Molecular Weight	487.446
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cccc(c1)[CH](Oc2ccc3n(ncc3c2)c4ccc(F)cc4)[CH](C)NC(=O)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	CC(C(c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F
Canonical SMILES	CACTVS	3.385	COc1cccc(c1)[C@@H](Oc2ccc3n(ncc3c2)c4ccc(F)cc4)[C@H](C)NC(=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C25H21F4N3O3/c1-15(31-24(33)25(27,28)29)23(16-4-3-5-20(12-16)34-2)35-21-10-11-22-17(13-21)14-30-32(22)19-8-6-18(26)7-9-19/h3-15,23H,1-2H3,(H,31,33)/t15-,23-/m0/s1
InChIKey	InChI	1.03	FCNQMDSJHADDFT-WNSKOXEYSA-N

Drug Info: DrugBank

DrugBank ID	DB12280
Name	AZD-5423
Groups	investigational
Description	AZD5423 has been used in trials studying the basic science and treatment of Asthma, Bioavailability and AUC, and Chronic Obstructive Pulmonary Disease (COPD).
Synonyms	AZD-5423
Categories	Acetates Acids, Acyclic Amides Anti-Asthmatic Agents Heterocyclic Compounds, Fused-Ring Pyrazoles Receptors, Glucocorticoid, agonists
CAS number	1034148-04-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glucocorticoid receptor	MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAV...	unknown	agonist

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