U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C27H22ClN3O4
Molecular Weight 487.934
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIDUFEXOR

SMILES

CN1N=C(C(=O)N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C(O)=O)C4=C1C5=CC(Cl)=CC=C5OC4

InChI

InChIKey=JYTIXGYXBIBOMN-UHFFFAOYSA-N
InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)

HIDE SMILES / InChI

Molecular Formula C27H22ClN3O4
Molecular Weight 487.934
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
1090 ng/mL
50 mg single, oral
dose: 50 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
NIDUFEXOR plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex:
food status: UNKNOWN
1300 ng/mL
50 mg 1 times / day multiple, oral
dose: 50 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
NIDUFEXOR plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
3710 ng × h/mL
50 mg single, oral
dose: 50 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
NIDUFEXOR plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex:
food status: UNKNOWN
4850 ng × h/mL
50 mg 1 times / day multiple, oral
dose: 50 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
NIDUFEXOR plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Substance Class Chemical
Created
by admin
on Tue Apr 01 16:23:35 GMT 2025
Edited
by admin
on Tue Apr 01 16:23:35 GMT 2025
Record UNII
CJ1PL0TE6J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NIDUFEXOR
INN  
Official Name English
LMB763
Preferred Name English
BENZOIC ACID, 4-((((8-CHLORO-1,4-DIHYDRO-1-METHYL(1)BENZOPYRANO(4,3-C)PYRAZOL-3-YL)CARBONYL)(PHENYLMETHYL)AMINO)METHYL)-
Systematic Name English
Nidufexor [WHO-DD]
Common Name English
nidufexor [INN]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C174657
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
WIKIPEDIA
Nidufexor
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
SMS_ID
100000181121
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
INN
10710
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID801336678
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
PUBCHEM
118063735
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
CAS
1773489-72-7
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
FDA UNII
CJ1PL0TE6J
Created by admin on Tue Apr 01 16:23:35 GMT 2025 , Edited by admin on Tue Apr 01 16:23:35 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
EC50
Related Record Type Details
ACTIVE MOIETY