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Compound Detail

CHEMBL135191

TIFENAZOXIDE
🧪 Phase II
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🧪 Phase II
CC1(NC2=NS(=O)(=O)c3sc(Cl)cc3N2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL135191
Name TIFENAZOXIDE
Phase Phase II
Structure Type MOL
InChI Key KYSFUHHFTIGRJN-UHFFFAOYSA-N

Known Names

NN-414 Tifenazoxide Tifenazoxido
6
Targets
23
Activities
2
Assay Types
8
PK Parameters
15
Publications
3
Known Names

Molecular Properties

291.8
MW (Da)
2.01
ALogP
5
HBA
2
HBD
70.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C9H10ClN3O2S2
MW 291.79
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.72

Activity Summary

EC50 14 meas. best 6.72
IC50 9 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-TC6
CHEMBL614357
 IC50 6.82 6.71 150.0 2
Sulfonylurea receptor 1, Kir6.2
CHEMBL2096972
 EC50 6.72 6.452 190.0 5
Rattus norvegicus
CHEMBL376
 EC50 6.68 5.76 210.0 2
Rattus norvegicus
CHEMBL376
 IC50 6.68 6.68 210.0 1
Unchecked
CHEMBL612545
 EC50 6.68 6.45 210.0 2
Beta-TC6
CHEMBL614357
 EC50 6.6 6.6 250.0 1
Sulfonylurea receptor 1, Kir6.2
CHEMBL2096972
 IC50 6.54 6.52 286.0 2
Beta-TC3
CHEMBL614063
 EC50 6.3 6.3 500.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.22 6.22 600.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC -268.0 % -
CL 7.02 mL.min-1.kg-1 Rattus norvegicus
Cmax 4222.21 nM Rattus norvegicus
F 103.0 % Rattus norvegicus
F 103.0 % Rattus norvegicus
T1/2 4.167 hr Rattus norvegicus
T1/2 4.167 hr Rattus norvegicus
Tmax 0.5 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-TC6 IC50 = 150.0 nM 6.82 Ability to inhibit the release of insulin from the mouse beta-TC6 cell line 12213059
Sulfonylurea receptor 1, Kir6.2 EC50 = 190.0 nM 6.72 Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as repo... 17425298
Sulfonylurea receptor 1, Kir6.2 EC50 = 190.0 nM 6.72 Repolarization of HEK293 cells expressing Kir6.2/SUR1 KATP channels 16821773
Rattus norvegicus EC50 = 210.0 nM 6.68 Inhibition of glucose-stimulated insulin release in Wistar rat islets 16821773
Unchecked EC50 = 210.0 nM 6.68 Inhibition of insulin release from rat INS-1E cells 17425298
Rattus norvegicus IC50 = 210.0 nM 6.68 Inhibition of glucose-stimulated insulin release from Wistar rat islets 12213059
Beta-TC6 EC50 = 250.0 nM 6.6 Inhibition of glucose-stimulated insulin release in betaTC6 cells 16821773
Beta-TC6 IC50 = 250.0 nM 6.6 Concentration required for inhibition of glucose stimulated insulin release from... 15501029
Sulfonylurea receptor 1, Kir6.2 IC50 = 286.0 nM 6.54 Displacement of [3H]glibenclamide from human Kir6.2/SUR1 expressed in HEK293 cel... 16821773
Sulfonylurea receptor 1, Kir6.2 IC50 = 320.0 nM 6.5 Inhibition of [3H]glibenclamide binding to HEK293 cells co-expressing human Sulf... 12213059
Sulfonylurea receptor 1, Kir6.2 EC50 = 450.0 nM 6.35 Activity at Kir6.2/SUR1 KATP channels expressed in HEK293 cells assessed as acti... 17425298
Sulfonylurea receptor 1, Kir6.2 EC50 = 450.0 nM 6.35 Activation of human Kir6.2/SUR1 channel outward current expressed in HEK293 cell... 36966977
Beta-TC3 EC50 = 500.0 nM 6.3 Repolarization of beta-TC3 cells 16821773
Beta-TC3 EC50 = 500.0 nM 6.3 Repolarization of tolbutamide-depolarized beta-TC3 cells 17425298
NON-PROTEIN TARGET IC50 = 600.0 nM 6.22 inhibitory concentration required for repolarization of beta cell membrane poten... 15501029
Unchecked EC50 = 600.0 nM 6.22 Changes in potassium fluxes assessed in the glucose responsive insulin-producing... 12213059
Sulfonylurea receptor 1, Kir6.2 EC50 = 750.0 nM 6.12 Activation of Kir6.2/SUR1 (unknown origin) channel opening expressed in human T-... 36966977
Rattus norvegicus EC50 = 14300.0 nM 4.84 Vasodilation effects on Wistar rat mesenteric arteries precontracted with phenyl... 12213059

Literature References

PubMed DOI Target Context # Activities
16821773 10.1021/jm060042j Rattus norvegicus 9
12213059 10.1021/jm0208121 Rattus norvegicus 7
12213059 10.1021/jm0208121 Sulfonylurea receptor 1, Kir6.2 3
16821773 10.1021/jm060042j Sulfonylurea receptor 1, Kir6.2 3
36966977 10.1016/j.bmcl.2023.129256 Sulfonylurea receptor 1, Kir6.2 3
12213059 10.1021/jm0208121 Beta-TC6 2
12213059 10.1021/jm0208121 ADMET 2
15501029 10.1016/j.bmcl.2004.09.057 Beta-TC6 2
16821773 10.1021/jm060042j Beta-TC6 2
17425298 10.1021/jm061440p Sulfonylurea receptor 1, Kir6.2 2
12213059 10.1021/jm0208121 Unchecked 1
15501029 10.1016/j.bmcl.2004.09.057 NON-PROTEIN TARGET 1
16821773 10.1021/jm060042j Beta-TC3 1
17425298 10.1021/jm061440p Beta-TC3 1
17425298 10.1021/jm061440p Unchecked 1

Data from ChEMBL 36 via Core Engine