Compound Detail
CHEMBL267744
TICRYNAFEN 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL267744 |
| Name | TICRYNAFEN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AGHANLSBXUWXTB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
5
PK Parameters
20
Publications
7
Known Names
1
Indications
1
Mechanisms
Molecular Properties
331.2
MW (Da)
3.75
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1979 |
| Availability | Withdrawn |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Cardiovascular Diseases
ATC Classification
C03CC02
tienilic acid
Level 1: CARDIOVASCULAR SYSTEM
Level 2: DIURETICS
Drug Warnings
Withdrawn
hepatotoxicity
Liver Toxicity and Death
Withdrawn
hepatotoxicity
Liver Toxicity and Death
Withdrawn
hepatotoxicity
Liver Toxicity and Death
Withdrawn
hepatotoxicity
deaths due to liver dysfunction
Withdrawn
hepatotoxicity
deaths due to liver dysfunction
Withdrawn
hepatotoxicity
deaths due to liver dysfunction
Withdrawn
hepatotoxicity
Liver Toxicity
Withdrawn
hepatotoxicity
Liver Toxicity
Activity Summary
Ki 2 meas. best 5.37
IC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.49 | 5.49 | 3206.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | Ki | 5.37 | 5.165 | 4300.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 61.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 82.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 4.2e-05 | mL.min-1.g-1 | Homo sapiens |
| CL | 6.9e-05 | mL.min-1.g-1 | Homo sapiens |
| CL | 0.111 | uL/min | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 3206.0 | nM | 5.49 | DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) | - |
| Cytochrome P450 2C9 | Ki | = | 4300.0 | nM | 5.37 | Mechanism based inhibition of human cytochrome P450 2C9 | 16248836 |
| Cytochrome P450 2C9 | Ki | = | 11000.0 | nM | 4.96 | Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme | 10956186 |
Literature References
Data from ChEMBL 36 via Core Engine