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Compound Detail

CHEMBL832

SULFINPYRAZONE
💊 Approved Drug
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💊 Approved Drug
O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1

Basic Information

ChEMBL ID CHEMBL832
Name SULFINPYRAZONE
Phase Approved
Structure Type MOL
InChI Key MBGGBVCUIVRRBF-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Anturan Anturane NSC-75925 Sulfinpirazona Sulfinpyrazone
4
Targets
12
Activities
2
Assay Types
10
PK Parameters
20
Publications
5
Known Names
1
Indications
1
Mechanisms

Molecular Properties

404.5
MW (Da)
3.80
ALogP
3
HBA
0
HBD
63.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1959
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral

Flags

Natural Product

Extended Properties

Molecular Formula C23H20N2O3S
MW 404.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.10

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Solute carrier family 22 member 12 inhibitor INHIBITOR Solute carrier family 22 member 12

Indications

Gout

ATC Classification

M04AB02
sulfinpyrazone
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIGOUT PREPARATIONS

Activity Summary

IC50 9 meas. best 5.0
Ki 3 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinate phosphoribosyltransferase
CHEMBL4523354
Ki 9.3 9.3 0.5 1
fMet-Leu-Phe receptor
CHEMBL3359
IC50 5.0 5.0 10000.0 1
Bile salt export pump
CHEMBL6020
IC50 4.96 4.96 11000.0 1
fMet-Leu-Phe receptor
CHEMBL3359
Ki 4.84 4.84 14400.0 1
Solute carrier family 22 member 12
CHEMBL6120
IC50 4.0 4.0 100000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 0.34 mL.min-1.kg-1 Homo sapiens
CL 0.1 mL.min-1.kg-1 Homo sapiens
CL 0.34 mL.min-1.kg-1 Homo sapiens
CL 0.34 mL.min-1.kg-1 Homo sapiens
Cmax 44250.0 nM Homo sapiens
F 80.0 % Homo sapiens
Fu 0.017 - Homo sapiens
Fu 0.017 - Homo sapiens
MRT 5.9 hr Homo sapiens
T1/2 6.2 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 514
- 10.5281/zenodo.13943903 ADMET 87
31158845 10.1038/s41586-019-1291-3 ADMET 65
21051535 10.1124/dmd.110.034629 ADMET 15
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
20070106 10.1021/jm901371v Homo sapiens 8
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
4067991 10.1021/jm00149a021 Rattus norvegicus 8
4067991 10.1021/jm00149a021 Cavia porcellus 8
18426954 10.1124/dmd.108.020479 ADMET 4
20869876 10.1016/j.bmc.2010.08.052 Albumin 4
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
- 10.6019/CHEMBL3301361 ADMET 3
10891117 10.1021/jm0000564 ADMET 2
10891117 10.1021/jm0000564 No relevant target 2
- 10.6019/CHEMBL3301361 No relevant target 2

Data from ChEMBL 36 via Core Engine