pasireotide (Q3896970)

DrugBank

17 November 2015

1,046.501424 dalton

1 reference

CHEMBL3039583 (English)

21 September 2016

chemical formula

C₅₈H₆₆N₁₀O₉

1 reference

CHEMBL3039583 (English)

21 September 2016

canonical SMILES

C1C(CN2C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN

0 references

isomeric SMILES

NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CC=C(OCC7=CC=CC=C7)C=C6)NC1=O)OC(=O)NCCN)C8=CC=CC=C8

1 reference

parenteral route of administration

15 February 2018

1.2 milligram

route of administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=H01CB05

1 reference

15 February 2018

World Health Organisation international non-proprietary name

pasireotide (English)

2 references

Pasireotide (English)

medical condition treated

19 January 2016

published in

Recommended INN: List 52

publication date

2004

pituitary-dependent Cushing's disease

start time

14 December 2012

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/98H1T17066

2 November 2018

reference URL

https://www.accessdata.fda.gov/drugsatfda_docs/label/2012/200677lbl.pdf

significant drug interaction

amiodarone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

dronedarone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

pimozide

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(RS)-methadone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

arsenic trioxide

1 reference

A reference set of clinically relevant adverse drug-drug interactions

disopyramide

1 reference

A reference set of clinically relevant adverse drug-drug interactions

toremifene

1 reference

A reference set of clinically relevant adverse drug-drug interactions

sotalol

1 reference

A reference set of clinically relevant adverse drug-drug interactions

moxifloxacin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

erythromycin

1 reference

A reference set of clinically relevant adverse drug-drug interactions

zuclopenthixol

1 reference

A reference set of clinically relevant adverse drug-drug interactions

vandetanib

1 reference

A reference set of clinically relevant adverse drug-drug interactions

crizotinib

1 reference

A reference set of clinically relevant adverse drug-drug interactions

droperidol

1 reference

A reference set of clinically relevant adverse drug-drug interactions

haloperidol

1 reference

A reference set of clinically relevant adverse drug-drug interactions

chlorpromazine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(RS)-citalopram

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(RS)-hydroxyzine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(RS)-sulpiride

1 reference

A reference set of clinically relevant adverse drug-drug interactions

pentamidine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

mefloquine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

fingolimod

1 reference

A reference set of clinically relevant adverse drug-drug interactions

domperidone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(RS)-methadone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

amiodarone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

sotalol

1 reference

A reference set of clinically relevant adverse drug-drug interactions

fingolimod

1 reference

A reference set of clinically relevant adverse drug-drug interactions

crizotinib

1 reference

A reference set of clinically relevant adverse drug-drug interactions

ivabradine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

donepezil

1 reference

probably

A reference set of clinically relevant adverse drug-drug interactions

galantamine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

ivabradine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

amiodarone

1 reference

A reference set of clinically relevant adverse drug-drug interactions

ivabradine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

galantamine

1 reference

A reference set of clinically relevant adverse drug-drug interactions

(RS)-sulpiride

1 reference

A reference set of clinically relevant adverse drug-drug interactions

donepezil

1 reference

probably

A reference set of clinically relevant adverse drug-drug interactions

donepezil

1 reference

probably

A reference set of clinically relevant adverse drug-drug interactions

LiverTox likelihood score

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

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

20 April 2017

1 reference

Medical Subject Headings

15 March 2018

C69131

1 reference

UNII

98H1T17066

InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1

15 February 2018

Identifiers

InChI

0 references

InChIKey

VMZMNAABQBOLAK-DBILLSOUSA-N

2 references

15 February 2018

ChEBI release 2020-09-01

2 references

Pasireotide (English)

publication date

17 November 2015

15 February 2018

0 references

0 references

mapping relation type

2 references

Pasireotide (English)

matched by identifier from

19 January 2016

International Chemical Identifier

InChI

InChI=1S/C58H66N10O9/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72)/t43-,46+,47+,48-,49+,50+,51+/m1/s1

0 references

2 references

inferred from InChIKey

matched by identifier from

InChIKey

VMZMNAABQBOLAK-DBILLSOUSA-N

1 reference

0 references

686-178-6

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.211.883

27 December 2018

ECHA Substance Infocard ID

(3R,6R,9S,12S,15S,19S,20aS)-9-(4-aminobutyl)-15-benzyl-12-{[4-(benzyloxy)phenyl]methyl}-6-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexaoxo-3-phenyl-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecan-19-yl N-(2-aminoethyl)carbamate (English)

quotation

CAS no.: 396091-73-9 (English)

100.211.883

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.211.883

27 December 2018

(3R,6R,9S,12S,15S,19S,20aS)-9-(4-aminobutyl)-15-benzyl-12-{[4-(benzyloxy)phenyl]methyl}-6-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexaoxo-3-phenyl-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecan-19-yl N-(2-aminoethyl)carbamate (English)

quotation

CAS no.: 396091-73-9 (English)

1 reference