anileridine ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
analgesics, pethidine derivatives and other synthetic small molecule miu-opioid receptor agonists 220 144-14-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • anileridine
  • adopol
  • alidine
  • apidol
  • leritin
  • leritine
  • nipecotan
  • anileridine hydrochloride
  • anileridine phosphate
  • anileridine HCl
  • anileridine monohydrochloride
  • anileridine dihydrochloride
minor descriptor (64-86); on line & INDEX MEDICUS search ISONIPECOTIC ACIDS (68-86); RN given refers to parent cpd
  • Molecular weight: 352.48
  • Formula: C22H28N2O2
  • CLOGP: 3.10
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 55.56
  • ALOGS: -4.46
  • ROTB: 7

  • Status: OFM

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

Drug dosage:

None

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 9.45 ยตM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.771 Moderate 0.66
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.259 Moderate 0.66
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 18.030 10^-6 cm/s Moderate 0.66
dh-clint Dog hepatocyte intrinsic clearance 24.831 uL/min/10^6 cells Moderate 0.66
dppb Dog plasma protein binding (% unbound) 37.870 % Moderate 0.66
fcs-ppb Fetal calf serum protein binding (% unbound) 35.200 % Moderate 0.66
herg hERG pIC50 5.462 pIC50 Moderate 0.66
hh-clint Human hepatocyte intrinsic clearance 19.724 uL/min/10^6 cells Moderate 0.66
hlm-clint Human liver microsomal intrinsic clearance 40.272 uL/min/mg protein Moderate 0.66
hppb Human plasma protein binding (% unbound) 33.640 % Moderate 0.66
kinase-safety-class ACVR2A,ACVR2B,AKT1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 54
kinase-selectivity-class AXL,EIF2AK3,EPHB4,FLT3,GRK2,MAP2K6,PDK4,SIK2,STK33,TEK 10
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.472 Moderate 0.66
mh-clint Mouse hepatocyte intrinsic clearance 149.279 Moderate 0.66
mppb Mouse plasma protein binding (% unbound) 31.020 Moderate 0.66
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 4.797 Moderate 0.66
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 56.750 % Moderate 0.66
rh-clint Rat hepatocyte intrinsic clearance 152.055 uL/min/10^6 cells Moderate 0.66
rh-fuinc Rat hepatocyte fraction unbound in incubation 71.620 % Moderate 0.66
rppb Rat plasma protein binding (% unbound) 35.200 % Moderate 0.66
solubility-dd Solubility at pH 7.4 in DMSO 827.942 uM Moderate 0.66

Approvals:

DateAgencyCompanyOrphan
None FDA MERCK

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 N01AH05 NERVOUS SYSTEM
ANESTHETICS
ANESTHETICS, GENERAL
Opioid anesthetics
CHEBI has role CHEBI:35482 opioid analgesic
CHEBI has role CHEBI:60606 opioid receptor agonist

Related Drugs by ATC class:

N01AH Opioid anesthetics 5 drugs

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

None




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.29 Basic
pKa2 3.44 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
Mu-type opioid receptor GPCR AGONIST WOMBAT-PK CHEMBL

External reference:

IDSource
D02941 KEGG_DRUG
17933 RXNORM
C0051908 UMLSCUI
CHEBI:61203 CHEBI
CHEMBL1201347 ChEMBL_ID
DB00913 DRUGBANK_ID
CHEMBL1201047 ChEMBL_ID
CHEMBL1200543 ChEMBL_ID
C100232 MESH_SUPPLEMENTAL_RECORD_UI
8944 PUBCHEM_CID
7115 IUPHAR_LIGAND_ID
528 INN_ID
126-12-5 SECONDARY_CAS_RN
4268-37-5 SECONDARY_CAS_RN
71Q1A3O279 UNII
001560 NDDF
001561 NDDF
001562 NDDF
55793008 SNOMEDCT_US

Pharmaceutical products:

None