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Details

Stereochemistry ABSOLUTE
Molecular Formula C57H86N2O14
Molecular Weight 1023.2977
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILS-920

SMILES

[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)[C@]4([H])CC[C@@]([H])(ON4C5=CC=CC=C5)\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]6CC[C@@H](O)[C@@H](C6)OC

InChI

InChIKey=WZFNBQBUDJACCD-ZSYWEHCUSA-N
InChI=1S/C57H86N2O14/c1-33-26-37(5)51(62)53(70-10)52(63)38(6)27-34(2)47(61)32-49(35(3)28-40-20-24-46(60)50(30-40)69-9)71-56(66)45-18-14-15-25-58(45)55(65)54(64)57(67)39(7)19-21-42(72-57)31-48(68-8)36(4)29-43-22-23-44(33)59(73-43)41-16-12-11-13-17-41/h11-13,16-17,27,29,33-35,37,39-40,42-46,48-50,52-53,60,63,67H,14-15,18-26,28,30-32H2,1-10H3/b36-29+,38-27+/t33-,34+,35+,37+,39+,40-,42-,43+,44-,45-,46+,48-,49-,50+,52+,53-,57+/m0/s1

HIDE SMILES / InChI

Description

ILS 920 (previously known as WAY-265920) was developed for the treatment of stroke. ILS-920 binds selectively to the immunophilin FKBP52 and to the β1-subunit of L-type voltage-gated calcium channels (VGCC). ILS 920 successfully completed phase I clinical trial where was determine the safety, tolerability, pharmacokinetics, and pharmacodynamics after administration of ascending single intravenous (IV) doses to healthy adult subjects. However, information about the further development of this drug is not available.

Originator

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Binding of rapamycin analogs to calcium channels and FKBP52 contributes to their neuroprotective activities.
2008 Jan 8
Molecular docking study of macrocycles as Fk506-binding protein inhibitors.
2015 Jun

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Intravenous
Name Type Language
ILS-920
Common Name English
ILS 920
Code English
WAY-265920
Code English
3,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34A-EICOSAHYDRO-9,27-DIHYDROXY-3-((1R)-2-((1S,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHYL)-10,21-DIMETHOXY-6,8,12,14,20,26-HEXAMETHYL-16-PHENYL-23,27-EPOXY-15,18-ETHENOPYRIDO(2,1-R)(1,16,2,19)
Systematic Name English
23,27-EPOXY-15,18-ETHENOPYRIDO(2,1-R)(1,16,2,19)DIOXADIAZACYCLOHENTRIACONTINE-1,5,11,28,29(6H,12H,31H)-PENTONE, 3,4,9,10,13,14,15,16,18,21,22,23,24,25,26,27,32,33,34,34A-EICOSAHYDRO-9,27-DIHYDROXY-3-((1R)-2-((1S,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-ME
Systematic Name English
Code System Code Type Description
PUBCHEM
58974612
Created by admin on Sat Dec 16 11:38:21 GMT 2023 , Edited by admin on Sat Dec 16 11:38:21 GMT 2023
PRIMARY
DRUG BANK
DB15422
Created by admin on Sat Dec 16 11:38:20 GMT 2023 , Edited by admin on Sat Dec 16 11:38:20 GMT 2023
PRIMARY
FDA UNII
F2D5P81X82
Created by admin on Sat Dec 16 11:38:20 GMT 2023 , Edited by admin on Sat Dec 16 11:38:20 GMT 2023
PRIMARY
CAS
892494-07-4
Created by admin on Sat Dec 16 11:38:20 GMT 2023 , Edited by admin on Sat Dec 16 11:38:20 GMT 2023
PRIMARY
SMS_ID
300000041430
Created by admin on Sat Dec 16 11:38:21 GMT 2023 , Edited by admin on Sat Dec 16 11:38:21 GMT 2023
PRIMARY
ACTIVE MOIETY
Structure of ILS-920
NIH
NCATS
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