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

Details

Stereochemistry ACHIRAL
Molecular Formula C30H33FN8O2S
Molecular Weight 588.699
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZIRITAXESTAT

SMILES

CCC1=C(N(C)C2=NC(=C(S2)C#N)C3=CC=C(F)C=C3)N4C=C(C=C(C)C4=N1)N5CCN(CC(=O)N6CC(O)C6)CC5

InChI

InChIKey=REQQVBGILUTQNN-UHFFFAOYSA-N
InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3

HIDE SMILES / InChI
Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q13822|||Q9UCR1
Gene ID: 5168.0
Gene Symbol: ENPP2
Target Organism: Homo sapiens (Human)
131.0 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
2017 May 11
Name Type Language
ZIRITAXESTAT
USAN   INN  
Official Name English
42-ETHYL-14-FLUORO-83-HYDROXY-3,48-DIMETHYL-7-OXO-3-AZA-4(3,6)-IMIDAZO(1,2-A)PYRIDINA-5(1,4)-PIPERAZINA-2(4,2)-(1,3)THIAZOLA-8(1)-AZETIDINA-1(1)-BENZENAOCTAPHANE-25-CARBONITRILE
Common Name English
5-THIAZOLECARBONITRILE, 2-((2-ETHYL-6-(4-(2-(3-HYDROXY-1-AZETIDINYL)-2-OXOETHYL)-1-PIPERAZINYL)-8-METHYLIMIDAZO(1,2-A)PYRIDIN-3-YL)METHYLAMINO)-4-(4-FLUOROPHENYL)-
Systematic Name English
ZIRITAXESTAT [USAN]
Common Name English
G451990
Code English
G-451990
Code English
GLPG-1690
Code English
GLPG1690
Code English
ziritaxestat [INN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 570616
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
FDA ORPHAN DRUG 723919
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
EU-Orphan Drug EU/3/16/1712
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
Code System Code Type Description
USAN
HI-130
Created by admin on Sat Dec 16 01:24:36 GMT 2023 , Edited by admin on Sat Dec 16 01:24:36 GMT 2023
PRIMARY
DRUG BANK
DB15403
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
PRIMARY
SMS_ID
100000183725
Created by admin on Sat Dec 16 01:24:36 GMT 2023 , Edited by admin on Sat Dec 16 01:24:36 GMT 2023
PRIMARY
PUBCHEM
90420193
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
PRIMARY
FDA UNII
I02418V13W
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
PRIMARY
NCI_THESAURUS
C170396
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
PRIMARY
INN
11017
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
PRIMARY
CAS
1628260-79-6
Created by admin on Sat Dec 16 01:24:35 GMT 2023 , Edited by admin on Sat Dec 16 01:24:35 GMT 2023
PRIMARY