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Compound Detail

CHEMBL1525826

SULFALENE
🧪 Phase III
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🧪 Phase III
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1525826
Name SULFALENE
Phase Phase III
Structure Type MOL
InChI Key KXRZBTAEDBELFD-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

AS-18908 Kelfizine w Longum NSC-110433 Sulfalene Sulfaleno Sulfamethopyrazine Sulfamethoxypyrazine Sulfametopyrazine
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
9
Known Names
2
Indications
1
Mechanisms

Molecular Properties

280.3
MW (Da)
0.87
ALogP
6
HBA
2
HBD
107.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem sulfa-
USAN Year 1965

Extended Properties

Molecular Formula C11H12N4O3S
MW 280.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.49

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Bacterial dihydropteroate synthase inhibitor INHIBITOR Dihydropteroate synthase ✓ ✓

Indications

Bacterial Infections Malaria

ATC Classification

J01ED02
sulfalene
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE

Activity Summary

IC50 3 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Escherichia coli
CHEMBL354
 IC50 4.87 4.87 13500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Escherichia coli IC50 = 13500.0 nM 4.87 Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as... 137981

Literature References

PubMed DOI Target Context # Activities
137981 10.1021/jm00212a010 Lacticaseibacillus casei 3
137981 10.1021/jm00212a010 Enterococcus faecium 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic 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
137981 10.1021/jm00212a010 Plasmodium berghei 2
137981 10.1021/jm00212a010 Escherichia coli 2
137981 10.1021/jm00212a010 NON-PROTEIN TARGET 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL3301361 No relevant target 1
- 10.6019/CHEMBL3301361 ADMET 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine