Compound Detail
CHEMBL421
SULFASALAZINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL421 |
| Name | SULFASALAZINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | NCEXYHBECQHGNR-QZQOTICOSA-N |
| Therapeutic | ✓ Yes |
22
Targets
42
Activities
4
Assay Types
30
PK Parameters
20
Publications
19
Known Names
15
Indications
2
Mechanisms
Molecular Properties
398.4
MW (Da)
3.70
ALogP
7
HBA
3
HBD
141.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1950 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Arachidonate 5-lipoxygenase inhibitor | INHIBITOR | Polyunsaturated fatty acid 5-lipoxygenase | ✓ | ✓ |
| Cyclooxygenase inhibitor | INHIBITOR | Cyclooxygenase | ✓ | ✓ |
Indications
Arthritis, Juvenile Arthritis, Rheumatoid Colitis, Ulcerative Arthritis, Psoriatic Cholangitis, Sclerosing Peripheral Nervous System Diseases Premature Birth Spondylitis, Ankylosing Glioblastoma Hypertension, Pulmonary Intestinal Obstruction Leukemia, Myeloid, Acute Nausea Paraganglioma Osteomyelitis
ATC Classification
A07EC01
sulfasalazine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
Activity Summary
IC50 30 meas. best 6.8
Ki 7 meas. best 6.28
Kd 4 meas. best 6.36
EC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cystine/glutamate transporter CHEMBL1075149 | IC50 | 6.8 | 5.32 | 160.0 | 4 |
| Flavin reductase (NADPH) CHEMBL5019 | Kd | 6.36 | 6.36 | 436.5 | 2 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | Ki | 6.28 | 6.28 | 530.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 900.0 | 5 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 6.04 | 6.04 | 916.0 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Solute carrier organic anion transporter family member 2B1 CHEMBL1743124 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | IC50 | 5.52 | 5.52 | 3040.0 | 1 |
| Solute carrier organic anion transporter family member 2B1 CHEMBL1743124 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 5.35 | 5.35 | 4490.0 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 5.2 | 5.2 | 6332.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.16 | 5.16 | 6870.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4295557 | Kd | 5.12 | 5.12 | 7600.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.06 | 5.06 | 8720.0 | 1 |
| Hepatic sodium/bile acid cotransporter CHEMBL5287 | IC50 | 5.02 | 5.02 | 9600.0 | 2 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| ATP-binding cassette sub-family C member 3 CHEMBL5918 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.77 | 4.77 | 17042.0 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 4.71 | 4.71 | 19639.0 | 1 |
| Bifunctional purine biosynthesis protein ATIC CHEMBL2518 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 4.63 | 4.63 | 23549.0 | 1 |
| Caspase-1 CHEMBL4801 | IC50 | 4.54 | 4.54 | 28812.0 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 4.53 | 4.53 | 29301.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.36 | 4.36 | 43951.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 462.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1810.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 7730.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 12300.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 635.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 13104.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 711.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 562.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 4320.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 10727.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 6260.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 8401.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 0.2 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.24 | mL.min-1.kg-1 | Homo sapiens |
| CL | 10.9 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 22.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 7.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 13.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 10.4 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 0.144 | ug.mL-1 | Rattus norvegicus |
| Cmax | 0.49 | ug.mL-1 | Rattus norvegicus |
| Cmax | 0.32 | ug.mL-1 | Rattus norvegicus |
| Cmax | 3.872 | ug.mL-1 | Rattus norvegicus |
| Cmax | 0.213 | ug.mL-1 | Rattus norvegicus |
| Cmax | 0.185 | ug.mL-1 | Rattus norvegicus |
| F | 37.0 | % | Mus musculus |
| F | 1.5 | % | Rattus norvegicus |
| F | 3.8 | % | Rattus norvegicus |
| F | 4.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine