baricitinib (Q4860707)

canonical SMILES

CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

1 reference

https://www.whocc.no/atc_ddd_index/?code=L04AA37

defined daily dose

4 milligram

route of administration

oral administration

1 reference

reference URL

medical condition treated

COVID-19

1 reference

Covid-19: WHO recommends baricitinib and sotrovimab to treat patients

physically interacts with

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

7792

language of work or name

27 April 2016

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

7792

language of work or name

English

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

27 April 2016

legal status (medicine)

boxed warning

1 reference

reference URL

title

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

LiverTox likelihood score

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Baricitinib

last update

2 December 2020

Commons category

Baricitinib

0 references

catalog

CAS COVID-19 Anti-Viral Candidate Compounds

0 references

Identifiers

InChI

InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)

1 reference

2 references

ChEBI release 2020-09-01

CAS Registry Number

1187594-09-7

1 reference

https://commonchemistry.cas.org/detail?cas_rn=1187594-09-7

10 April 2021

ChemSpider ID

26373084

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

44205240

2 references

imported from Wikimedia project

English Wikipedia

ChEBI ID

95341

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)

ChEMBL ID

CHEMBL2105759

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

8 February 2021

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

0 references

691-421-4

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.219.080

ECHA Substance Infocard ID

27 December 2018

title

2-[1-(ethanesulfonyl)-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl]acetonitrile (English)

quotation

CAS no.: 1187594-09-7 (English)

100.219.080

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.219.080

Guide to Pharmacology Ligand ID

27 December 2018

title

2-[1-(ethanesulfonyl)-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl]acetonitrile (English)

quotation

CAS no.: 1187594-09-7 (English)

0 references

0 references

7792

1 reference

https://www.guidetopharmacology.org/coronavirus.jsp

22 April 2020

reference URL

MeSH descriptor ID

C000596027

subject named as

baricitinib

0 references

0 references

1 reference

Human Metabolome Database ID

HMDB0248873

2 references

based on heuristic

inferred from InChIKey

UNII

ISP4442I3Y

1 reference