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Compound Detail

CHEMBL1201754

RUFINAMIDE
💊 Approved Drug
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💊 Approved Drug
NC(=O)c1cn(Cc2c(F)cccc2F)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1201754
Name RUFINAMIDE
Phase Approved
Structure Type MOL
InChI Key POGQSBRIGCQNEG-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

60231/4 Banzel CGP 33101 CGP-33101 E-2080 E2080 Inovelon RUF 331 RUF-331 Rufinamida Rufinamide
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
11
Known Names
5
Indications
1
Mechanisms

Molecular Properties

238.2
MW (Da)
0.70
ALogP
4
HBA
1
HBD
73.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2007
Availability Prescription
Chirality Achiral

Routes of Administration

Oral
USAN Year 2000

Extended Properties

Molecular Formula C10H8F2N4O
MW 238.20
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.23

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Sodium channel alpha subunit blocker BLOCKER Sodium channel alpha subunit ✓ ✓

Indications

Epilepsy Epilepsy Lennox Gastaut Syndrome Seizures Pain

ATC Classification

N03AF03
rufinamide
Level 1: NERVOUS SYSTEM
Level 2: ANTIEPILEPTICS

Activity Summary

Ki 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 5A, mitochondrial
CHEMBL4789
 Ki 6.46 6.46 343.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 5A, mitochondrial Ki = 343.8 nM 6.46 Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme f... 31387062

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
35985458 10.1016/j.bmcl.2022.128946 Sodium channel protein type 1 subunit alpha 4
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 1
31387062 10.1016/j.ejmech.2019.111565 Carbonic anhydrase 5A, mitochondrial 1
31387062 10.1016/j.ejmech.2019.111565 Carbonic anhydrase 2 1
31387062 10.1016/j.ejmech.2019.111565 Carbonic anhydrase 1 1

Data from ChEMBL 36 via Core Engine