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monobenzone 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1834 | 103-16-2 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.972 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.684 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 65.313 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 85.310 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 7.010 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 12.830 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.299 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 47.098 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 24.774 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 5.130 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK | 48 | |||
| kinase-selectivity-class | ACVR2B,AXL,ERBB2,GRK2,MAP2K6 | 5 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.485 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 431.519 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 5.900 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.417 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 11.530 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 290.402 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 51.780 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 4.220 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 107.399 | uM | Moderate | 0.65 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Nov. 10, 1952 | FDA |
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 | D11AX13 | DERMATOLOGICALS OTHER DERMATOLOGICAL PREPARATIONS OTHER DERMATOLOGICAL PREPARATIONS Other dermatologicals |
| FDA MoA | N0000175850 | Melanin Synthesis Inhibitors |
| FDA PE | N0000175851 | Depigmenting Activity |
| FDA EPC | N0000175853 | Depigmenting Agent |
| CHEBI has role | CHEBI:50177 | dermatologic drug |
| CHEBI has role | CHEBI:50904 | allergen |
| CHEBI has role | CHEBI:64933 | melanin synthesis inhibitor |
Related Drugs by ATC class:
D11AX Other dermatologicals 20 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 | 10.05 | 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 |
|---|---|---|---|---|---|---|---|---|---|
| Tyrosinase | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| Prostaglandin G/H synthase 2 | Enzyme | IC50 | 5.43 | DRUG MATRIX | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 5.99 | DRUG MATRIX | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.41 | DRUG MATRIX | |||||
| Histone deacetylase 6 | Enzyme | IC50 | 6 | CHEMBL | |||||
| Arachidonate 15-lipoxygenase | Enzyme | IC50 | 5.31 | DRUG MATRIX |
External reference:
| ID | Source |
|---|---|
| 4018885 | VUID |
| N0000171571 | NUI |
| D05072 | KEGG_DRUG |
| 4018885 | VANDF |
| C0050962 | UMLSCUI |
| CHEBI:34380 | CHEBI |
| CHEMBL1388 | ChEMBL_ID |
| DB00600 | DRUGBANK_ID |
| 7638 | PUBCHEM_CID |
| C006429 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6830 | IUPHAR_LIGAND_ID |
| 588 | INN_ID |
| 9L2KA76MG5 | UNII |
| 17145 | RXNORM |
| 133 | MMSL |
| 5133 | MMSL |
| 72832 | MMSL |
| 002020 | NDDF |
| 256167003 | SNOMEDCT_US |
| 414760009 | SNOMEDCT_US |
| 9L2KA76MG5 | INXIGHT DRUGS |
Pharmaceutical products:
None