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diacerein 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 849 | 13739-02-1 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
chelates with bivalent metals; a quinone which possesses redox properties; metabolized to active rhein; proposed mechanisms include inhibiting IL1 and metalloproteinases; called a slow acting symptomatic drug in osteoarthritis; no effect of cyclooxygenase
|
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 35 % |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.231 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 23.823 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 2.218 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 45.394 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 6.930 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 6.220 | % | High | 1 |
| herg | hERG pIC50 | 4.118 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 236.048 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 356.451 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 2.670 | % | High | 1 |
| kinase-safety-class | AAK1,ACVR1B,ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BMX,BRAF,BTK,CAMK2A,CAMK2B,CAMK2D,CDK1,CDK16,CDK19,CDK2,CDK3,CDK4,CDK5,CDK9,CHEK1,CLK4,CSF1R,DDR1,DYRK1A,DYRK1B,DYRK2,DYRK3,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FGFR4,FLT1,FLT3,FLT4,GRK2,GRK3,GSK3A,GSK3B,HASPIN,HIPK2,IKBKB,INSR,IRAK1,ITK,JAK1,JAK2,KDR,KIT,LCK,MAP2K1,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP3K8,MAP4K1,MAP4K2,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MINK1,MTOR,NTRK1,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PLK1,PRKAA1,PRKAA2,PRKCD,PRKCZ,PRKDC,PTK2,PTK6,SGK1,SIK2,SIK3,SRC,STK10,STK17A,STK33,SYK,TEK,TGFBR1,TNIK,TTK,UHMK1,ULK1,ULK2,ZAP70 | 127 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,ALK,AURKB,AURKC,AXL,BRAF,CAMK2B,CAMK2D,CDK16,CDK9,CLK4,DDR1,DYRK1B,DYRK3,EIF2AK3,EPHB4,ERBB2,GRK2,IKBKB,JAK2,MAP2K3,MAP2K6,MAP3K14,MAP4K1,MAPK12,MAPK7,MAPK8,MARK4,MTOR,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM3,PRKAA1,PRKDC,SIK2,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 46 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 15.631 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 313.329 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 9.380 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.479 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 3.040 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 371.535 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 91.450 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 2.700 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 194.536 | uM | High | 1 |
Approvals:
None
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Brain scan abnormal | 243.27 | 121.41 | 33 | 521 | 1538 | 110587207 |
| Cerebral artery thrombosis | 232.97 | 121.41 | 32 | 522 | 1636 | 110587109 |
| Areflexia | 195.09 | 121.41 | 33 | 521 | 6736 | 110582009 |
| Hemiplegia | 143.73 | 121.41 | 31 | 523 | 22751 | 110565994 |
| Ischaemic stroke | 140.76 | 121.41 | 34 | 520 | 41229 | 110547516 |
| Facial paralysis | 136.26 | 121.41 | 30 | 524 | 24184 | 110564561 |
| Respiratory distress | 123.47 | 121.41 | 34 | 520 | 68840 | 110519905 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | M01AX21 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Other antiinflammatory and antirheumatic agents, non-steroids |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
Related Drugs by ATC class:
M01AX Other antiinflammatory and antirheumatic agents, non-steroids 13 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
None
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.67 | acidic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Transthyretin | Secreted | IC50 | 5.27 | CHEMBL | |||||
| Caspase-3 | Enzyme | EC50 | 5.10 | CHEMBL | |||||
| Caspase-7 | Enzyme | EC50 | 4.83 | CHEMBL | |||||
| N-acylethanolamine-hydrolyzing acid amidase | Enzyme | IC50 | 6.16 | CHEMBL | |||||
| Alpha-ketoglutarate-dependent dioxygenase FTO | Enzyme | IC50 | 5.82 | CHEMBL | |||||
| Female germline-specific tumor suppressor gld-1 | Cytosolic other | IC50 | 5.14 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D07270 | KEGG_DRUG |
| 22759 | RXNORM |
| C0057678 | UMLSCUI |
| CHEBI:94708 | CHEBI |
| CHEMBL41286 | ChEMBL_ID |
| DB11994 | DRUGBANK_ID |
| C025292 | MESH_SUPPLEMENTAL_RECORD_UI |
| 26248 | PUBCHEM_CID |
| 10800 | IUPHAR_LIGAND_ID |
| 5371 | INN_ID |
| 4HU6J11EL5 | UNII |
| 005800 | NDDF |
| 702835000 | SNOMEDCT_US |
| 714674003 | SNOMEDCT_US |
| 4HU6J11EL5 | INXIGHT DRUGS |
Pharmaceutical products:
None