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

Stem definitionDrug idCAS RN
50 13461-01-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • aceprometazine
  • acepromethazine
  • aceprometazine maleate
  • Molecular weight: 326.46
  • Formula: C19H22N2OS
  • CLOGP: 4.38
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 23.55
  • ALOGS: -4.43
  • ROTB: 4

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.836 Moderate 0.71
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.395 Moderate 0.71
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 36.392 10^-6 cm/s Moderate 0.71
herg hERG pIC50 5.717 pIC50 Moderate 0.71
dh-clint Dog hepatocyte intrinsic clearance 83.560 uL/min/10^6 cells Moderate 0.71
dppb Dog plasma protein binding (% unbound) 14.660 % Moderate 0.71
fcs-ppb Fetal calf serum protein binding (% unbound) 22.710 % Moderate 0.71
hh-clint Human hepatocyte intrinsic clearance 14.223 uL/min/10^6 cells Moderate 0.71
hlm-clint Human liver microsomal intrinsic clearance 49.317 uL/min/mg protein Moderate 0.71
hppb Human plasma protein binding (% unbound) 13.410 % Moderate 0.71
kinase-safety-class ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ZAP70 49
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.406 Moderate 0.71
mh-clint Mouse hepatocyte intrinsic clearance 192.752 Moderate 0.71
mppb Mouse plasma protein binding (% unbound) 14.320 Moderate 0.71
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.545 Moderate 0.71
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 1 Moderate 0.71
pppb Pig plasma protein binding (% unbound) 29.610 % Moderate 0.71
rh-clint Rat hepatocyte intrinsic clearance 264.850 uL/min/10^6 cells Moderate 0.71
rh-fuinc Rat hepatocyte fraction unbound in incubation 54.820 % Moderate 0.71
rppb Rat plasma protein binding (% unbound) 14.630 % Moderate 0.71
solubility-dd Solubility at pH 7.4 in DMSO 792.501 uM Moderate 0.71

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
MeSH PA D002491 Central Nervous System Agents
MeSH PA D002492 Central Nervous System Depressants
MeSH PA D011619 Psychotropic Drugs
MeSH PA D014149 Tranquilizing Agents
MeSH PA D014150 Antipsychotic Agents
MeSH PA D015259 Dopamine Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018492 Dopamine Antagonists
CHEBI has role CHEBI:35474 anxiolytic drug
CHEBI has role CHEBI:35717 sedative
CHEBI has role CHEBI:37956 histamine antagonist

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Insomnia indication 193462001




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.19 Basic
pKa2 1.82 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
Histamine H1 receptor GPCR ANTAGONIST DRUG LABEL DRUG LABEL

External reference:

IDSource
161203 RXNORM
C0608826 UMLSCUI
CHEBI:53770 CHEBI
CHEMBL2104054 ChEMBL_ID
DB01615 DRUGBANK_ID
C021280 MESH_SUPPLEMENTAL_RECORD_UI
26035 PUBCHEM_CID
1921 INN_ID
984N9YTM4Y UNII
7455-18-7 SECONDARY_CAS_RN
005488 NDDF
005489 NDDF

Pharmaceutical products:

None