Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
19J3781LPM
Record Status Validated
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C26H23F4N9O
Molecular Weight 553.5141
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Created by admin on Sat Jun 26 09:22:53 EDT 2021
Edited by GUEST on Wed Jul 21 16:07:14 EDT 2021
Structure of ITACITINIB

Systematic Names:

  • None recorded

SMILES

FC1=C(C=CN=C1C(F)(F)F)C(=O)N2CCC(CC2)N3CC(CC#N)(C3)N4C=C(C=N4)C5=NC=NC6=C5C=CN6

InChI

KTBSXLIQKWEBRB-UHFFFAOYSA-N
InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)
Name Type Language Details Access References
ITACITINIB
Domain Jurisdiction Naming Organization
drug  
INN   USAN  
INN   USAN   WHO-DD  
Official Name
English  
ITACITINIB [WHO-DD]
Common Name
English  
ITACITINIB [USAN]
Common Name
English  
ITACITINIB [INN]
Common Name
English  
INCB039110
Code
English  
INCB-039110
Code
English  
3-AZETIDINEACETONITRILE, 1-(1-((3-FLUORO-2-(TRIFLUOROMETHYL)-4-PYRIDINYL)CARBONYL)-4-PIPERIDINYL)-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)-1H-PYRAZOL-1-YL)-
Systematic Name
English  
(1-(1-(3-FLUORO-2-(TRIFLUOROMETHYL)PYRIDINE- 4-CARBONYL)PIPERIDIN-4-YL)-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN- 4-YL)-1H-PYRAZOL-1-YL)AZETIDIN-3-YL)ACETONITRILE
Systematic Name
English  
Classification Tree Code System Code Access References
EU-Orphan Drug EU/3/17/1964
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
FDA ORPHAN DRUG 562716
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
NCI_THESAURUS C129825
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
NCI_THESAURUS C1967
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
Code System Code Type Description Access References
CAS
1334298-90-6
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
PRIMARY
EVMPD
SUB183665
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
PRIMARY
ChEMBL
CHEMBL3544950
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
PRIMARY
DRUG BANK
DB12154
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
PRIMARY
FDA UNII
19J3781LPM
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
PRIMARY
INN
10313
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
PRIMARY
NCI_THESAURUS
C116855
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
PRIMARY
PUBCHEM
53380437
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
PRIMARY
Related Record Type Details Access References
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Sat Jun 26 17:07:01 EDT 2021 , Edited by admin on Sat Jun 26 17:07:01 EDT 2021
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
SALT/SOLVATE -> PARENT
none
none
Mediator Substance Details
none
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Sat Jun 26 09:22:53 EDT 2021 , Edited by admin on Sat Jun 26 09:22:53 EDT 2021
Created Sat Jun 26 09:22:53 EDT 2021
Created By admin
Last Edited Sat Jun 26 09:22:53 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 SYSTEM
2 dump-public-2021-06-23_UPDATED.gsrs BATCH_IMPORT Sat Jun 26 09:22:52 EDT 2021
3 http://www.guidetopharmacology.org/GRAC/ObjectDisplayForward?objectId=2048 WEBSITE NOMEN
4 stn SRS NOMEN
5 ITACITINIB [USAN] SRS_LOCATOR
6 http://www.guidetopharmacology.org/GRAC/ObjectDisplayForward?objectId=2047 WEBSITE NOMEN
7 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:52:02 EDT 2017
8 Generated from relationship on:'TYROSINE-PROTEIN KINASE JAK1' SYSTEM
9 Generated from relationship on:'TYROSINE-PROTEIN KINASE JAK2' SYSTEM
10 ITACITINIB [WHO-DD] SRS_LOCATOR
11 USAN COUN 2015 USANCOUN
12 WHO-DD SRS NOMEN
13 SRS import [19J3781LPM] SRS NOMEN Fri Apr 28 14:52:02 EDT 2017
14 ITACITINIB [INN] SRS_LOCATOR
15 STN STN (SCIFINDER)
16 USAN COUN 2015 SRS NOMEN
17 INN Proposed List 115 INN_LIST PUBLIC_DOMAIN_RELEASE
18 INN SRS NOMEN
19 http://informahealthcare.com/doi/pdfplus/10.1517/13543784.2014.918604 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED

Version

Version Comments

Editor

Change Date

11
admin
Sat Jun 26 13:07:01 EDT 2021

Molecular Formula C26H23F4N9O
Molecular Weight 553.5141
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE