dexamethasone valerate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
829 33755-46-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • dexamethasone valerate
  • Molecular weight: 476.59
  • Formula: C27H37FO6
  • CLOGP: 3.91
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 2
  • TPSA: 100.90
  • ALOGS: -4.85
  • ROTB: 7

  • Status: OFP

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
S (Water solubility) 0.08 mg/mL Bocci G, Oprea TI, Benet LZ
BA (Bioavailability) 81 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.149 Moderate 0.77
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.074 Moderate 0.77
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 72.946 10^-6 cm/s Moderate 0.77
dh-clint Dog hepatocyte intrinsic clearance 17.947 uL/min/10^6 cells Moderate 0.77
dppb Dog plasma protein binding (% unbound) 5.020 % Moderate 0.77
fcs-ppb Fetal calf serum protein binding (% unbound) 9.760 % Moderate 0.77
herg hERG pIC50 4.649 pIC50 Moderate 0.77
hh-clint Human hepatocyte intrinsic clearance 27.733 uL/min/10^6 cells Moderate 0.77
hlm-clint Human liver microsomal intrinsic clearance 139.959 uL/min/mg protein Moderate 0.77
hppb Human plasma protein binding (% unbound) 6.320 % Moderate 0.77
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1 21
kinase-selectivity-class AXL,GRK2,MAP2K6 3
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 6.339 Moderate 0.73
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 4.406 Moderate 0.77
mh-clint Mouse hepatocyte intrinsic clearance 55.719 Moderate 0.77
mppb Mouse plasma protein binding (% unbound) 5.900 Moderate 0.77
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 15.453 Moderate 0.77
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.73
pppb Pig plasma protein binding (% unbound) 13.460 % Moderate 0.77
rat-kpuu-brain Rat brain Kpuu 0.058 % Moderate 0.73
rh-clint Rat hepatocyte intrinsic clearance 112.202 uL/min/10^6 cells Moderate 0.77
rh-fuinc Rat hepatocyte fraction unbound in incubation 43.530 % Moderate 0.77
rppb Rat plasma protein binding (% unbound) 5.370 % Moderate 0.77
solubility-dd Solubility at pH 7.4 in DMSO 90.782 uM Moderate 0.77

Approvals:

None

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:

SourceCodeDescription
FDA MoA N0000175450 Corticosteroid Hormone Receptor Agonists
FDA EPC N0000175576 Corticosteroid
MeSH PA D000893 Anti-Inflammatory Agents
MeSH PA D000932 Antiemetics
MeSH PA D000970 Antineoplastic Agents
MeSH PA D005765 Gastrointestinal Agents
MeSH PA D005938 Glucocorticoids
MeSH PA D006728 Hormones
MeSH PA D018931 Antineoplastic Agents, Hormonal
CHEBI has role CHEBI:22587 antiviral agent
CHEBI has role CHEBI:33231 antitubercular agent
CHEBI has role CHEBI:33281 antimicrobial agent
CHEBI has role CHEBI:33282 antibacterial agent
CHEBI has role CHEBI:35441 antiinfective agent
CHEBI has role CHEBI:35442 antiparasitic agent
CHEBI has role CHEBI:35472 anti-inflammatory drug
CHEBI has role CHEBI:35480 analgesic
CHEBI has role CHEBI:35554 cardiovascular drug
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:35674 antihypertensive agent
CHEBI has role CHEBI:35703 xenobiotic
CHEBI has role CHEBI:35705 immunosuppressive agent
CHEBI has role CHEBI:35718 antifungal agent
CHEBI has role CHEBI:35842 antirheumatic drug
CHEBI has role CHEBI:35845 gout suppressant
CHEBI has role CHEBI:37962 adrenergic agent
CHEBI has role CHEBI:38068 antimalarial
CHEBI has role CHEBI:39456 antiglaucoma drug
CHEBI has role CHEBI:49201 anti-ulcer drug
CHEBI has role CHEBI:50177 dermatologic drug
CHEBI has role CHEBI:50671 antithyroid drug
CHEBI has role CHEBI:50748 antipsoriatic
CHEBI has role CHEBI:50857 anti-allergic agent
CHEBI has role CHEBI:50919 antiemetic
CHEBI has role CHEBI:55324 gastrointestinal drug
CHEBI has role CHEBI:62868 hepatoprotective agent
CHEBI has role CHEBI:65023 anti-asthmatic agent
CHEBI has role CHEBI:66981 ophthalmology drug
CHEBI has role CHEBI:67079 anti-inflammatory agent
CHEBI has role CHEBI:73336 vulnerary
CHEBI has role CHEBI:75835 anti-anaemic agent
CHEBI has role CHEBI:77715 nasal decongestant
CHEBI has role CHEBI:78298 environmental contaminant
CHEBI has role CHEBI:231911 renoprotective agent
CHEBI has role CHEBI:233423 antifibrotic agent

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 levelDissociation constantType (acidic/basic)
pKa1 11.24 acidic
pKa2 11.86 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Glucocorticoid receptor Nuclear hormone receptor Ki 8.26 CHEMBL
Mineralocorticoid receptor Nuclear hormone receptor IC50 7.48 CHEMBL
Androgen receptor Nuclear hormone receptor Ki 5.85 CHEMBL
Progesterone receptor Nuclear hormone receptor Ki 6.25 CHEMBL
Inhibitor of nuclear factor kappa-B kinase subunit beta Kinase IC50 9.30 CHEMBL
Inhibitor of nuclear factor kappa-B kinase subunit alpha Kinase IC50 9.30 CHEMBL
Androgen receptor Transcription factor IC50 4.09 CHEMBL
Fatty acid-binding protein, liver Cytosolic other Ki 4.66 CHEMBL
Progesterone receptor Transcription factor IC50 4.63 CHEMBL
Glucocorticoid receptor Transcription factor IC50 7.66 CHEMBL

External reference:

IDSource
D01948 KEGG_DRUG
3264 RXNORM
4017922 VANDF
C0057590 UMLSCUI
DEX PDB_CHEM_ID
CHEMBL384467 ChEMBL_ID
OI7CP949NN UNII
63047 PUBCHEM_CID
4552 MMSL
6848 MMSL
d00206 MMSL
002174 NDDF
372584003 SNOMEDCT_US
7561000 SNOMEDCT_US
C0011777 UMLSCUI
DB01234 DRUGBANK_ID
5743 PUBCHEM_CID
816 INN_ID
D003907 MESH_DESCRIPTOR_UI
CHEBI:41879 CHEBI
OI7CP949NN INXIGHT DRUGS

Pharmaceutical products:

None