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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32FNO5
Molecular Weight 433.513
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Nizubaglustat

SMILES

OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC2=CC(F)=C(C=C2)C3=CC=CC=C3

InChI

InChIKey=IRIRASPSMMWZOM-CJRSTVEYSA-N
InChI=1S/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H32FNO5
Molecular Weight 433.513
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:13:10 UTC 2023
Edited
by admin
on Sat Dec 16 19:13:10 UTC 2023
Record UNII
2X6NHN9RRN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Nizubaglustat
INN  
Official Name English
3,4,5-Piperidinetriol, 1-[5-[(2-fluoro[1,1′-biphenyl]-4-yl)methoxy]pentyl]-2-(hydroxymethyl)-, (2S,3R,4R,5S)-
Systematic Name English
(2S,3R,4R,5S)-1-[5-[(2-Fluoro[1,1′-biphenyl]-4-yl)methoxy]pentyl]-2-(hydroxymethyl)-3,4,5-piperidinetriol
Systematic Name English
nizubaglustat [INN]
Common Name English
(2S,3R,4R,5S)-1-{5-[(2-fluoro-[1,1'-biphenyl]-4- yl)methoxy]pentyl}-2-(hydroxymethyl)piperidine-3,4,5-triol
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 859521
Created by admin on Sat Dec 16 19:13:11 UTC 2023 , Edited by admin on Sat Dec 16 19:13:11 UTC 2023
FDA ORPHAN DRUG 865321
Created by admin on Sat Dec 16 19:13:11 UTC 2023 , Edited by admin on Sat Dec 16 19:13:11 UTC 2023
Code System Code Type Description
INN
12454
Created by admin on Sat Dec 16 19:13:11 UTC 2023 , Edited by admin on Sat Dec 16 19:13:11 UTC 2023
PRIMARY
CAS
1633666-49-5
Created by admin on Sat Dec 16 19:13:11 UTC 2023 , Edited by admin on Sat Dec 16 19:13:11 UTC 2023
PRIMARY
PUBCHEM
101882900
Created by admin on Sat Dec 16 19:13:11 UTC 2023 , Edited by admin on Sat Dec 16 19:13:11 UTC 2023
PRIMARY
FDA UNII
2X6NHN9RRN
Created by admin on Sat Dec 16 19:13:11 UTC 2023 , Edited by admin on Sat Dec 16 19:13:11 UTC 2023
PRIMARY
NCI_THESAURUS
C199079
Created by admin on Sat Dec 16 19:13:11 UTC 2023 , Edited by admin on Sat Dec 16 19:13:11 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
IC50
TARGET->WEAK INHIBITOR
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ACTIVE MOIETY