U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18N4O4
Molecular Weight 354.3599
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NESOLICAFTOR

SMILES

C[C@@H](O)C1=NN=C(O1)[C@H]2C[C@@H](C2)NC(=O)C3=CC(=NO3)C4=CC=CC=C4

InChI

InChIKey=XPEHHUISIBFLHX-RAIGVLPGSA-N
InChI=1S/C18H18N4O4/c1-10(23)17-20-21-18(25-17)12-7-13(8-12)19-16(24)15-9-14(22-26-15)11-5-3-2-4-6-11/h2-6,9-10,12-13,23H,7-8H2,1H3,(H,19,24)/t10-,12-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H18N4O4
Molecular Weight 354.3599
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:21:09 GMT 2023
Edited
by admin
on Sat Dec 16 14:21:09 GMT 2023
Record UNII
T2U4ZA62U4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NESOLICAFTOR
INN   USAN  
Official Name English
PTI-428
Preferred Name English
Nesolicaftor [WHO-DD]
Common Name English
NESOLICAFTOR [USAN]
Common Name English
NESOLICITOR
Common Name English
N-(TRANS-3-(5-((R)-1-HYDROXYETHYL)-1,3,4-OXADIAZOL-2-YL)CYCLOBUTYL)-3-PHENYLISOXAZOLE-5-CARBOXAMIDE
Systematic Name English
nesolicaftor [INN]
Common Name English
5-ISOXAZOLECARBOXAMIDE, N-(TRANS-3-(5-((1R)-1-HYDROXYETHYL)-1,3,4-OXADIAZOL-2-YL)CYCLOBUTYL)-3-PHENYL-
Systematic Name English
N-(TRANS-3-(5-((1R)-1-HYDROXYETHYL)-1,3,4-OXADIAZOL-2-YL)CYCLOBUTYL)-3-PHENYL-5-ISOXAZOLECARBOXAMIDE
Systematic Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/19/2163
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
FDA ORPHAN DRUG 544916
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
Code System Code Type Description
NCI_THESAURUS
C174912
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
PRIMARY
EVMPD
SUB195444
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
PRIMARY
SMS_ID
100000181707
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
PRIMARY
DRUG BANK
DB15239
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
PRIMARY
FDA UNII
T2U4ZA62U4
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
PRIMARY
INN
11277
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
PRIMARY
USAN
GH-10
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
PRIMARY
CAS
1953130-87-4
Created by admin on Sat Dec 16 14:21:09 GMT 2023 , Edited by admin on Sat Dec 16 14:21:09 GMT 2023
PRIMARY
Related Record Type Details
TARGET->MODULATOR
Related Record Type Details
ACTIVE MOIETY