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molidustat 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| hypoxia inducible factor (HIF) prolyl hydroxylase inhibitors | 5486 | 1154028-82-6 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
Molidustat (BAY 85–3934) is a novel, orally bioavailable HIF-PH inhibitor that mimics hypoxia by stabilizing HIF-a subunits. Molidustat inhibits HIF-PH, allowing the accumulation of HIF, which then translocates to the nucleus where it activates the transcription of erythropoietin (EPO) and other hypoxia-inducible genes, thereby increasing endogenous EPO levels and formation of the red blood cell.
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -0.445 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 4.436 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 16.943 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 3.006 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 56.810 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 59.500 | % | High | 1 |
| herg | hERG pIC50 | 4.327 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.202 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.112 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 43.140 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CLK4,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK2,GSK3B,IRAK1,ITK,JAK1,KIT,MAP3K21,MAP4K1,MAP4K3,MAPK7,MARK4,PDK1,PDK2,PDK4,PIK3CA,PIK3CD,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,ULK1 | 40 | |||
| kinase-selectivity-class | ACVR2A,BRAF,CAMK2D,CDK9,CLK2,CLK4,DYRK1B,EIF2AK3,GRK2,HASPIN,IRAK1,MAP3K21,MAPK7,PRKDC,SIK2,SIK3,ULK1 | 17 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 7.413 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 5.284 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 49.600 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 3.443 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 50.980 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.862 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 87.970 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 31.720 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 826.038 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 22, 2021 | PMDA | BAYER YAKUHIN, Ltd |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | B03XA09 | BLOOD AND BLOOD FORMING ORGANS ANTIANEMIC PREPARATIONS OTHER ANTIANEMIC PREPARATIONS Other antianemic preparations |
| CHEBI has role | CHEBI:75835 | anti-anaemic agent |
Related Drugs by ATC class:
B03XA Other antianemic preparations 8 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Renal anemia | indication | 234348004 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
None
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 |
|---|---|---|---|---|---|---|---|---|---|
| Egl nine homolog 1 | Enzyme | INHIBITOR | IC50 | 6.55 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Egl nine homolog 2 | Enzyme | INHIBITOR | IC50 | 6.32 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Egl nine homolog 3 | Enzyme | INHIBITOR | IC50 | 6.35 | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE | |||
| Hypoxia-inducible factor 1-alpha inhibitor | Enzyme | IC50 | 4.51 | CHEMBL | |||||
| Prolyl 4-hydroxylase | Enzyme | Ki | 4.79 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| CHEBI:755673 | CHEBI |
| A1H | PDB_CHEM_ID |
| QEQ | PDB_CHEM_ID |
| CHEMBL3646118 | ChEMBL_ID |
| C000603972 | MESH_SUPPLEMENTAL_RECORD_UI |
| 8456 | IUPHAR_LIGAND_ID |
| DB15642 | DRUGBANK_ID |
| D11273 | KEGG_DRUG |
| C4078705 | UMLSCUI |
| CHEMBL3931782 | ChEMBL_ID |
| 9655 | INN_ID |
| 1375799-59-9 | SECONDARY_CAS_RN |
| 59603622 | PUBCHEM_CID |
| 9JH486CZ13 | UNII |
| 2637534 | RXNORM |
| 9JH486CZ13 | INXIGHT DRUGS |
Pharmaceutical products:
None