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nedocromil 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| antiallergics, cromoglicic acid derivatives | 1889 | 69049-73-6 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A pyranoquinolone derivative that inhibits activation of inflammatory cells which are associated with ASTHMA, including eosinophils, neutrophils, macrophages, mast cells, monocytes, and platelets.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 10.40 | mg | N |
| 8 | mg | Inhal.aerosol |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.63 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Hosey CM, Chan R, Benet LZ |
| BA (Bioavailability) | 3 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.43 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 10.20 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.11 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 0.90 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 20 mg/mL | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.057 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 5.508 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.216 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.146 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 27.450 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 30.930 | % | High | 1 |
| herg | hERG pIC50 | 4.430 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.611 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.451 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 14.290 | % | High | 1 |
| kinase-safety-class | ACVR1B,ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,HIPK2,IKBKB,IRAK1,ITK,JAK1,JAK2,KDR,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MKNK1,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PRKAA1,PRKCD,PRKDC,PTK2,SGK1,SIK2,SIK3,STK17A,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ULK2,ZAP70 | 86 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,MAP2K3,MAP2K6,MAP3K14,MAPK7,MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM3,PRKDC,SIK2,STK33,TEK,TGFBR1,TTK,ZAP70 | 28 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.414 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.168 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 1.510 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 35.250 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.045 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 18.960 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.008 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 3.062 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 88.450 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 14.750 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 944.061 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 30, 1992 | FDA | KING PHARMS |
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 | R01AC07 | RESPIRATORY SYSTEM NASAL PREPARATIONS DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE Antiallergic agents, excl. corticosteroids |
| ATC | R03BC03 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS Antiallergic agents, excl. corticosteroids |
| ATC | S01GX04 | SENSORY ORGANS OPHTHALMOLOGICALS DECONGESTANTS AND ANTIALLERGICS Other antiallergics |
| FDA PE | N0000175628 | Decreased Histamine Release |
| FDA EPC | N0000175630 | Mast Cell Stabilizer |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:49167 | anti-asthmatic drug |
| CHEBI has role | CHEBI:50857 | anti-allergic agent |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
| CHEBI has role | CHEBI:77715 | nasal decongestant |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| MeSH PA | D000082142 | Mast Cell Stabilizers |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D007155 | Immunologic Factors |
| MeSH PA | D018926 | Anti-Allergic Agents |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
Related Drugs by ATC class:
R01AC Antiallergic agents, excl. corticosteroids 7 drugs
R03BC Antiallergic agents, excl. corticosteroids 1 drug
S01GX Other antiallergics 12 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Asthma | indication | 195967001 | DOID:2841 |
| Asthma management | indication | 406162001 | |
| Allergic conjunctivitis | indication | 473460002 | DOID:11204 |
| Ocular Itching | indication | ||
| Bronchospasm Prevention | off-label use |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.51 | acidic |
| pKa2 | 3.02 | acidic |
| pKa3 | 4.8 | Basic |
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 |
|---|---|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | GPCR | WOMBAT-PK | |||||||
| G-protein coupled receptor 35 | GPCR | AGONIST | EC50 | 6.01 | SCIENTIFIC LITERATURE |
External reference:
| ID | Source |
|---|---|
| 4023599 | VUID |
| N0000021604 | NUI |
| D00527 | KEGG_DRUG |
| 69049-74-7 | SECONDARY_CAS_RN |
| 4020726 | VANDF |
| 4023599 | VANDF |
| C0068483 | UMLSCUI |
| CHEBI:7492 | CHEBI |
| CHEMBL746 | ChEMBL_ID |
| DB00716 | DRUGBANK_ID |
| CHEMBL915 | ChEMBL_ID |
| D017835 | MESH_DESCRIPTOR_UI |
| 50294 | PUBCHEM_CID |
| 7607 | IUPHAR_LIGAND_ID |
| 5420 | INN_ID |
| 0B535E0BN0 | UNII |
| 266663 | RXNORM |
| 5159 | MMSL |
| d03112 | MMSL |
| 003747 | NDDF |
| 003748 | NDDF |
| 108627004 | SNOMEDCT_US |
| 108629001 | SNOMEDCT_US |
| 372519004 | SNOMEDCT_US |
Pharmaceutical products:
None