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Compound Detail

CHEMBL1510

ELETRIPTAN
💊 Approved Drug
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💊 Approved Drug
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12

Basic Information

ChEMBL ID CHEMBL1510
Name ELETRIPTAN
Phase Approved
Structure Type MOL
InChI Key PWVXXGRKLHYWKM-LJQANCHMSA-N
Therapeutic ✓ Yes

Known Names

Eletriptan Relpax UK-116,044 UK-116,044-04 FREE BASE UK-116044 UK-116044-04 FREE BASE
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
20
Publications
6
Known Names
3
Indications

Molecular Properties

382.5
MW (Da)
3.82
ALogP
3
HBA
1
HBD
53.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2002
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -triptan
USAN Year 1997

Extended Properties

Molecular Formula C22H26N2O2S
MW 382.53
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.72

Indications

Migraine Disorders Migraine with Aura Migraine without Aura

ATC Classification

N02CC06
eletriptan
Level 1: NERVOUS SYSTEM
Level 2: ANALGESICS

Activity Summary

EC50 1 meas. best 7.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1B
CHEMBL1898
EC50 7.93 7.93 11.6 1

Pharmacokinetic Data

Parameter Value Units Species
CL 5.3 mL.min-1.kg-1 Homo sapiens
F 62.5 % Homo sapiens
Fu 0.15 - Homo sapiens
MRT 5.0 hr Homo sapiens
T1/2 4.2 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 1B EC50 = 11.64 nM 7.93 Agonist activity at 5-HT1B receptor (unknown origin) 34922191

Literature References

PubMed DOI Target Context # Activities
- 10.5281/zenodo.13943903 ADMET 89
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
11602674 - ATP-dependent translocase ABCB1 8
18426954 10.1124/dmd.108.020479 ADMET 4
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
24960305 10.1021/jm500364u Homo sapiens 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
24900570 10.1021/ml300314h LLC-PK1 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
23033255 10.1124/dmd.112.048264 Cytochrome P450 2J2 1
17870541 10.1016/j.bmc.2007.08.060 Homo sapiens 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 1B1 1
22541068 10.1021/jm300212s Solute carrier organic anion transporter family member 1B3 1
18426954 10.1124/dmd.108.020479 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine