Compound Detail
CHEMBL550495
METHYLENE BLUE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL550495 |
| Name | METHYLENE BLUE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XQAXGZLFSSPBMK-UHFFFAOYSA-M |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL191083 |
| Active Moiety | CHEMBL549963 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
13
Known Names
15
Indications
1
Mechanisms
Molecular Properties
284.4
MW (Da)
2.50
ALogP
3
HBA
0
HBD
19.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2016 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Reducing agent | - | - | ✓ | ✓ |
Indications
Urinary Tract Infections Bipolar Disorder Dysuria Shock, Septic Abscess Malaria Malaria, Falciparum Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Stress Disorders, Post-Traumatic Tooth Diseases Wounds and Injuries Glucosephosphate Dehydrogenase Deficiency Jaundice Sepsis
Drug Warnings
Black Box Warning
General Warning
Activity Summary
IC50 3 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.69 | 5.69 | 2030.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Thiosulfate sulfurtransferase CHEMBL4295835 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 2030.0 | nM | 5.69 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| GroEL/GroES | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Esch... | 30852084 |
| Thiosulfate sulfurtransferase | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodane... | 30852084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 4 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 17967916 | 10.1128/aac.00773-07 | No relevant target | 1 |
| - | 10.1007/s00044-004-0111-x | Probable glutathione reductase 2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | Caco-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | ADMET | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | Thiosulfate sulfurtransferase | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | Unchecked | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | HSP60/HSP10 | 1 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | Chaperonin GroEL | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine