ELETRIPTAN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26N2O2S
Molecular Weight	382.519
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ELETRIPTAN

Structure Search

SMILES

CN1CCC[C@@H]1CC2=CNC3=C2C=C(CCS(=O)(=O)C4=CC=CC=C4)C=C3

InChI

InChIKey=PWVXXGRKLHYWKM-LJQANCHMSA-N

InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H26N2O2S
Molecular Weight	382.519
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:17:27 UTC 2023` Edited by `admin` on `Fri Dec 15 16:17:27 UTC 2023`
Record UNII	22QOO9B8KI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ELETRIPTAN

Official Name

English

UK-116,044

Code

English

UK-116044

Code

English

UK-116,044-04 FREE BASE

Code

English

Eletriptan [WHO-DD]

Common Name

English

ELETRIPTAN [VANDF]

Common Name

English

eletriptan [INN]

Common Name

English

ELETRIPTAN [MI]

Common Name

English

3-(((R)-1-METHYL-2-PYRROLIDINYL)METHYL)-5-(2-(PHENYLSULFONYL)ETHYL)INDOLE

Systematic Name

English

UK-116044-04 FREE BASE

Code

English

(R)-3-((1-METHYL-2-PYRROLIDINYL)METHYL)-5-(2-(PHENYLSULFONYL)ETHYL)-1H-INDOLE

Systematic Name

English

Classification Tree Code System Code

LIVERTOX

343

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

NCI_THESAURUS

C47794

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

WHO-ATC

N02CC06

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

NDF-RT

N0000175764

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

WHO-VATC

QN02CC06

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

NDF-RT

N0000175763

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

NDF-RT

N0000175765

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

Code System Code Type Description

LACTMED

Eletriptan

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

EPA CompTox

DTXSID9046861

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

SMS_ID

100000080522

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

EVMPD

SUB06482MIG

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

DRUG BANK

DB00216

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

ChEMBL

CHEMBL1510

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

DAILYMED

22QOO9B8KI

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

NCI_THESAURUS

C65509

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

CAS

143322-58-1

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

DRUG CENTRAL

995

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

MESH

C115647

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

INN

7426

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

CHEBI

50922

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

WIKIPEDIA

ELETRIPTAN

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

FDA UNII

22QOO9B8KI

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

MERCK INDEX

m4867

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

Merck Index

RXCUI

231049

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

RxNorm

IUPHAR

40

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

PUBCHEM

77993

Created by admin on Fri Dec 15 16:17:27 UTC 2023 , Edited by admin on Fri Dec 15 16:17:27 UTC 2023

PRIMARY

Related Record Type Details


					ZI18M2JAY5

5-HYDROXYTRYPTAMINE RECEPTOR 1D

TARGET -> AGONIST

Comments:

Eletriptan binds with high affinity to 5-HT1B, 5-HT1D and 5-HT1F receptors, has modest affinity for 5-HT1A, 5-HT1E, 5-HT2B and 5-HT7 receptors

Interaction Type:

BINDING

Amount:


					92AD31CQ59

ELETRIPTAN SUCCINATE

SALT/SOLVATE -> PARENT

Amount:


					1AG1A6ENX6

5-HYDROXYTRYPTAMINE RECEPTOR 7

TARGET -> AGONIST

Comments:

Eletriptan binds with high affinity to 5-HT1B, 5-HT1D and 5-HT1F receptors, has modest affinity for 5-HT1A, 5-HT1E, 5-HT2B and 5-HT7 receptors

Amount:


					9DX651UO0D

CYTOCHROME P450 1A1

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR

Amount:


					M41W832TA3

ELETRIPTAN HYDROBROMIDE

SALT/SOLVATE -> PARENT

Amount:


					OL4Q27AUZF

ELETRIPTAN HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					6E2Z4UWILI

5-HYDROXYTRYPTAMINE RECEPTOR 2B

TARGET -> AGONIST

Comments:

Eletriptan binds with high affinity to 5-HT1B, 5-HT1D and 5-HT1F receptors, has modest affinity for 5-HT1A, 5-HT1E, 5-HT2B and 5-HT7 receptors

Amount:


					81L44VUK9K

5-HYDROXYTRYPTAMINE RECEPTOR 1E

TARGET -> AGONIST

Comments:

Eletriptan binds with high affinity to 5-HT1B, 5-HT1D and 5-HT1F receptors, has modest affinity for 5-HT1A, 5-HT1E, 5-HT2B and 5-HT7 receptors

Amount:


					607KP935Y1

ELETRIPTAN MESYLATE

SALT/SOLVATE -> PARENT

Amount:


					805SU96HKF

CYTOCHROME P450 3A5

METABOLIC ENZYME -> SUBSTRATE


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MINOR

Amount:


					UKK18ES9TF

5-HYDROXYTRYPTAMINE RECEPTOR 1A

TARGET -> AGONIST

Comments:

Eletriptan binds with high affinity to 5-HT1B, 5-HT1D and 5-HT1F receptors, has modest affinity for 5-HT1A, 5-HT1E, 5-HT2B and 5-HT7 receptors

Interaction Type:

BINDING

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Qualification:

EFFLUX RATIO

Amount:


					AMM8PSU28B

ELETRIPTAN HEMISULFATE

SALT/SOLVATE -> PARENT

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					6MOZ326Q5L

N-DESMETHYL ELETRIPTAN

METABOLITE ACTIVE -> PARENT

Qualification:

PLASMA

Amount:

Related Record Type Details


					22QOO9B8KI

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC