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

Stem definitionDrug idCAS RN
tranquillizers, neuroleptics, 4'-fluoro-4-piperidinobutyrophenone derivatives 1677 3575-80-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • melperone
  • flubuperone
  • methylperone
  • Molecular weight: 263.36
  • Formula: C16H22FNO
  • CLOGP: 3.88
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 0
  • TPSA: 20.31
  • ALOGS: -3.73
  • ROTB: 5

Drug dosage:

DoseUnitRoute
0.30 g O
0.30 g P

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 21.70 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution) 14 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 46 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 3.90 hours Lombardo F, Berellini G, Obach RS
S (Water solubility) 29.98 mg/mL Bocci G, Oprea TI, Benet LZ
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Bocci G, Oprea TI, Benet LZ
BA (Bioavailability) 65 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.471 Moderate 0.67
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.388 Moderate 0.67
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 32.885 10^-6 cm/s Moderate 0.67
dh-clint Dog hepatocyte intrinsic clearance 29.785 uL/min/10^6 cells Moderate 0.67
dppb Dog plasma protein binding (% unbound) 61.640 % Moderate 0.67
fcs-ppb Fetal calf serum protein binding (% unbound) 81.570 % Moderate 0.67
herg hERG pIC50 5.992 pIC50 Moderate 0.67
hh-clint Human hepatocyte intrinsic clearance 7.278 uL/min/10^6 cells Moderate 0.67
hlm-clint Human liver microsomal intrinsic clearance 17.061 uL/min/mg protein Moderate 0.67
hppb Human plasma protein binding (% unbound) 66.150 % Moderate 0.67
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPKAPK2,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK,TGFBR1,TTK 44
kinase-selectivity-class AKT3,AXL,BRAF,CAMK2D,CDK4,CDK9,EIF2AK3,EPHB4,ERBB2,MAPK7,PDK4,PRKCD,SIK2,SIK3,STK33,TEK,TTK 17
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.237 Moderate 0.67
mh-clint Mouse hepatocyte intrinsic clearance 124.451 Moderate 0.67
mppb Mouse plasma protein binding (% unbound) 66.770 Moderate 0.67
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.776 Moderate 0.67
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 75.760 % Moderate 0.67
rh-clint Rat hepatocyte intrinsic clearance 172.187 uL/min/10^6 cells Moderate 0.67
rh-fuinc Rat hepatocyte fraction unbound in incubation 79.660 % Moderate 0.67
rppb Rat plasma protein binding (% unbound) 61.530 % Moderate 0.67
solubility-dd Solubility at pH 7.4 in DMSO 928.966 uM Moderate 0.67

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1972 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Systemic infection 84.93 49.36 20 2000 4755 90621672
Sleep-related eating disorder 76.21 49.36 14 2006 990 90625437
Haematemesis 70.62 49.36 27 1993 33699 90592728
Labelled drug-drug interaction medication error 58.71 49.36 19 2001 14563 90611864
Peripheral circulatory failure 57.86 49.36 12 2008 1592 90624835
Atrial fibrillation 54.48 49.36 35 1985 133576 90492851
Tachycardia 53.89 49.36 37 1983 157636 90468791

FDA Adverse Event Reporting System (Male)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
General physical health deterioration 118.84 42.52 74 1628 151172 42468461
Fall 111.32 42.52 84 1618 234436 42385197
Epilepsy 58.79 42.52 26 1676 26145 42593488
Disorientation 56.50 42.52 28 1674 36361 42583272
Pleurothotonus 54.26 42.52 12 1690 1199 42618434
Confusional state 53.77 42.52 48 1654 167549 42452084
Gastrointestinal hypermotility 49.09 42.52 8 1694 152 42619481
Electrocardiogram QT shortened 48.84 42.52 8 1694 157 42619476
Fracture 42.93 42.52 15 1687 8088 42611545

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
General physical health deterioration 148.52 39.03 119 3614 425176 110160390
Systemic infection 114.71 39.03 32 3701 9787 110575779
Fall 112.73 39.03 119 3614 603363 109982203
Drug interaction 93.91 39.03 99 3634 500084 110085482
Pleurothotonus 78.67 39.03 18 3715 2480 110583086
Hypotension 73.20 39.03 89 3644 523760 110061806
Disorientation 72.54 39.03 39 3694 70632 110514934
Restlessness 71.97 39.03 36 3697 56223 110529343
Haematemesis 70.29 39.03 36 3697 59072 110526494
Labelled drug-drug interaction medication error 53.60 39.03 24 3709 29278 110556288
Sleep-related eating disorder 53.56 39.03 11 3722 914 110584652
Dehydration 53.46 39.03 56 3677 279455 110306111
Peripheral circulatory failure 51.38 39.03 12 3721 1807 110583759
Depressed level of consciousness 51.25 39.03 37 3696 112241 110473325
Epilepsy 50.30 39.03 35 3698 100174 110485392
Syncope 48.74 39.03 46 3687 202490 110383076
Medication error 48.72 39.03 35 3698 105331 110480235
Tachycardia 46.18 39.03 47 3686 226598 110358968
Product monitoring error 43.94 39.03 15 3718 8912 110576654
Tongue spasm 43.87 39.03 7 3726 138 110585428
Dementia 39.70 39.03 20 3713 31653 110553913

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC N05AD03 NERVOUS SYSTEM
PSYCHOLEPTICS
ANTIPSYCHOTICS
Butyrophenone derivatives

Related Drugs by ATC class:

N05AD Butyrophenone derivatives 8 drugs
benperidolbromperidoldroperidolhaloperidollumateperonemoperonepipamperonetrifluperidol

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 9.28 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 6.98 WOMBAT-PK
Alpha-2A adrenergic receptor GPCR Ki 6.82 WOMBAT-PK
Potassium voltage-gated channel subfamily H member 2 Ion channel WOMBAT-PK
5-hydroxytryptamine receptor 1A GPCR Ki 5.66 PDSP
5-hydroxytryptamine receptor 2A GPCR Ki 6.72 WOMBAT-PK
5-hydroxytryptamine receptor 2C GPCR Ki 5.68 PDSP
Alpha-1A adrenergic receptor GPCR Ki 6.74 WOMBAT-PK
D(3) dopamine receptor GPCR Ki 7.06 WOMBAT-PK
Histamine H1 receptor GPCR Ki 6.24 WOMBAT-PK
Muscarinic acetylcholine receptor M2 GPCR Ki 5.62 PDSP
Muscarinic acetylcholine receptor M4 GPCR Ki 5.36 PDSP
5-hydroxytryptamine receptor 1D GPCR Ki 5.47 PDSP
Cytochrome P450 2D6 Enzyme WOMBAT-PK
D(4) dopamine receptor GPCR Ki 6.39 WOMBAT-PK

External reference:

IDSource
D07309 KEGG_DRUG
C0066477 UMLSCUI
CHEBI:93626 CHEBI
CHEMBL1531134 ChEMBL_ID
DB09224 DRUGBANK_ID
15387 PUBCHEM_CID
2070 INN_ID
J8WA3K39B7 UNII
29961 RXNORM
006742 NDDF
441821005 SNOMEDCT_US
442519006 SNOMEDCT_US

Pharmaceutical products:

None