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

Stem definitionDrug idCAS RN
antipsychotics, risperidone derivatives 1111 52942-31-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • clopradone
  • triazolinone
  • etoperidone
  • etoperidone hydrochloride
  • etoperidone HCl
  • Molecular weight: 377.92
  • Formula: C19H28ClN5O
  • CLOGP: 3.94
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 0
  • TPSA: 42.39
  • ALOGS: -2.95
  • ROTB: 7

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.041 Moderate 0.77
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.918 Moderate 0.77
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 42.855 10^-6 cm/s Moderate 0.77
dh-clint Dog hepatocyte intrinsic clearance 24.547 uL/min/10^6 cells Moderate 0.77
dppb Dog plasma protein binding (% unbound) 9.860 % Moderate 0.77
fcs-ppb Fetal calf serum protein binding (% unbound) 14.690 % Moderate 0.77
herg hERG pIC50 5.234 pIC50 Moderate 0.77
hh-clint Human hepatocyte intrinsic clearance 28.249 uL/min/10^6 cells Moderate 0.77
hlm-clint Human liver microsomal intrinsic clearance 230.144 uL/min/mg protein Moderate 0.77
hppb Human plasma protein binding (% unbound) 7.940 % Moderate 0.77
kinase-safety-class ACVR2B,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK7,MET,NTRK2,PDK2,PDK4,PRKDC,SIK2,SIK3,TEK,TGFBR1 22
kinase-selectivity-class AXL,BRAF,EIF2AK3,EPHB4,GRK2,MAPK7,SIK2,STK33,TEK 9
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.780 Moderate 0.77
mh-clint Mouse hepatocyte intrinsic clearance 82.794 Moderate 0.77
mppb Mouse plasma protein binding (% unbound) 8.340 Moderate 0.77
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 3.097 Moderate 0.77
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 Moderate 0.77
pppb Pig plasma protein binding (% unbound) 15.820 % Moderate 0.77
rh-clint Rat hepatocyte intrinsic clearance 165.577 uL/min/10^6 cells Moderate 0.77
rh-fuinc Rat hepatocyte fraction unbound in incubation 58.720 % Moderate 0.77
rppb Rat plasma protein binding (% unbound) 9.190 % Moderate 0.77
solubility-dd Solubility at pH 7.4 in DMSO 933.254 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
ATC N06AB09 NERVOUS SYSTEM
PSYCHOANALEPTICS
ANTIDEPRESSANTS
Selective serotonin reuptake inhibitors
CHEBI has role CHEBI:35469 antidepressant

Related Drugs by ATC class:

N06AB Selective serotonin reuptake inhibitors 7 drugs
citalopramescitalopramfluoxetinefluvoxamineparoxetinesertralinezimeldine

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 6.98 Basic

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
D(2) dopamine receptor GPCR Ki 5.64 PDSP
Sodium-dependent serotonin transporter Transporter Ki 6.05 PDSP
5-hydroxytryptamine receptor 1A GPCR Ki 7.07 PDSP
Histamine H1 receptor GPCR Ki 5.51 PDSP

External reference:

IDSource
D04105 KEGG_DRUG
C0059873 UMLSCUI
CHEBI:135589 CHEBI
CHEMBL1743259 ChEMBL_ID
DB09194 DRUGBANK_ID
CHEMBL3085482 ChEMBL_ID
C013528 MESH_SUPPLEMENTAL_RECORD_UI
40589 PUBCHEM_CID
4023 INN_ID
57775-22-1 SECONDARY_CAS_RN
KAI6MVO39Z UNII
KAI6MVO39Z INXIGHT DRUGS

Pharmaceutical products:

None