serlopitant (Q21098912)

CHEMBL447955 (English)

14 October 2016

chemical formula

C₂₉H₂₈F₇NO₂

1 reference

CHEMBL447955 (English)

14 October 2016

canonical SMILES

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2CCC3CN(CC3C2C4=CC=C(C=C4)F)C5=CC(=O)CC5

1 reference

CHEMBL447955 (English)

14 October 2016

isomeric SMILES

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@@H]3CN(C[C@H]3[C@@H]2C4=CC=C(C=C4)F)C5=CC(=O)CC5

1 reference

CHEMBL447955 (English)

physically interacts with

14 October 2016

Tachykinin receptor 1

subject has role

antagonist

1 reference

Open Targets Platform

https://platform.opentargets.org/drug/CHEMBL447955

14 August 2023

reference URL

subject has role

NK1 receptor antagonists

1 reference

InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1

Medical Subject Headings

15 March 2018

Serlopitant

0 references

Identifiers

InChI

1 reference

CHEMBL447955 (English)

14 October 2016

1 reference

Global Substance Registration System

CHEMBL447955 (English)

14 October 2016

2 references

UNII

277V92K32B

serlopitant (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=860642-69-9

9 April 2021

1 reference

serlopitant (English)

14 October 2016

2 references

CHEMBL447955 (English)

14 October 2016

ChEBI ID

229902

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1

1 reference

SERLOPITANT (English)

14 October 2016

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID501433467

0 references

Guide to Pharmacology Ligand ID

9280

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

Medical Subject Headings

14 March 2018

1 reference

UNII

277V92K32B

2 references

Global Substance Registration System

UNII

277V92K32B

serlopitant (English)

14 October 2016

inferred by common MeSH mappings on source and on Wikidata

0 references

0 references

Microsoft Academic ID

0 references

1 reference

UMLS 2023