ZIRITAXESTAT

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 Search

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

Molecular Formula	C30H33FN8O2S
Molecular Weight	588.699
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 1 Target ID: Q13822\|\|\|Q9UCR1 Gene ID: 5168.0 Gene Symbol: ENPP2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/28414242	Inhibitor 8297		131.0 nM [IC50]

PubMed

Title	Date	PubMed
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	28414242

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:24:35 GMT 2023` Edited by `admin` on `Sat Dec 16 01:24:35 GMT 2023`
Record UNII	I02418V13W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ZIRITAXESTAT

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

Related Record Type Details


					0D4997F36U

ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2

TARGET -> INHIBITOR

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					I02418V13W

ZIRITAXESTAT

ACTIVE MOIETY