(Q1257318)

DrugBank

17 November 2015

Bedaquiline.svg
512 × 509; 7 KB

0 references

mass

554.157 dalton

1 reference

Bedaquiline (English)

18 November 2016

chemical formula

C₃₂H₃₁BrN₂O₂

1 reference

Bedaquiline (English)

18 November 2016

canonical SMILES

CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O

1 reference

Bedaquiline (English)

18 November 2016

isomeric SMILES

CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O

1 reference

Bedaquiline (English)

https://www.whocc.no/atc_ddd_index/?code=J04AK05

18 November 2016

defined daily dose

86 milligram

route of administration

oral administration

1 reference

reference URL

1 reference

14 February 2018

World Health Organisation international non-proprietary name

bedaquiline (English)

1 reference

bedaquiline (English)

medical condition treated

19 October 2016

pulmonary tuberculosis

1 reference

Drug Indications Extracted from FAERS

multidrug-resistant tuberculosis

2 October 2018

start time

28 December 2012

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/78846I289Y

2 November 2018

reference URL

http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204384s006lbl.pdf

significant drug interaction

erythromycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

clarithromycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

voriconazole

1 reference

A reference set of clinically relevant adverse drug-drug interactions

efavirenz

1 reference

A reference set of clinically relevant adverse drug-drug interactions

posaconazole

1 reference

A reference set of clinically relevant adverse drug-drug interactions

Ketoconazole

1 reference

probably

A reference set of clinically relevant adverse drug-drug interactions

pregnancy category

US pregnancy category B

1 reference

imported from Wikimedia project

English Wikipedia

LiverTox likelihood score

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

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

22 September 2017

1 reference

5 March 2018

1 reference

Medical Subject Headings

15 March 2018

0 references

1 reference

Bedaquiline

0 references

Identifiers

InChI

InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1

1 reference

Bedaquiline (English)

18 November 2016

2 references

Bedaquiline (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

843663-66-1

2 references

bedaquiline (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=843663-66-1

9 April 2021

1 reference

Bedaquiline (English)

18 November 2016

2 references

Bedaquiline (English)

18 November 2016

Reaxys registry number

10733008

1 reference

bedaquiline (English)

19 October 2016

ChEBI ID

72292

mapping relation type

2 references

BEDAQUILINE (English)

18 November 2016

International Chemical Identifier

InChI

InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1

1 reference

BEDAQUILINE (English)

18 November 2016

2 references

inferred from InChIKey

Cambridge Structural Database

1 reference

1 reference

10 January 2023

1 reference

Cambridge Structural Database

10 January 2023

1 reference

Hazardous Substances Data Bank

28 October 2019

Bedaquiline (English)

10 May 2021

DSSTox substance ID

DTXSID80903989

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

Guide to Pharmacology Ligand ID

Bedaquiline (English)

publication date

17 November 2015

11171

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

Medical Subject Headings

14 March 2018

1 reference

bedaquiline (English)

18 November 2016

DrugBank ID

DB08903

1 reference

2 references

bedaquiline (English)

18 November 2016

MedlinePlus drug identifier

0 references

1 reference

bedaquiline (English)

18 November 2016

0 references

1 reference

1 reference

bedaquiline (English)

19 October 2016

1 reference

bedaquiline (English)

electronic Essential Medicines List medicine ID

19 October 2016

PDB ligand ID

BQ1

0 references

0 references

1 reference

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

1 reference

imported from Wikimedia project

4V1F (English)

19 October 2016

1 reference

1 reference

bedaquiline (English)