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

Stem definitionDrug idCAS RN
spasmolytics with a papaverine-like action 494 77-23-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • carbetapentane
  • carbetapentane citrate
  • pentoxyverine citrate
  • pentoxiverine
  • pentoxyverine
  • Molecular weight: 333.47
  • Formula: C20H31NO3
  • CLOGP: 4.70
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 0
  • TPSA: 38.77
  • ALOGS: -4.16
  • ROTB: 11

Drug dosage:

DoseUnitRoute
0.10 g O
0.10 g R

ADMET properties:

PropertyValueReference
BA (Bioavailability) 40 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 1.539 High 0.85
caco2-efflux Caco-2 efflux ratio (BA/AB) 2.911 High 0.85
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 11.350 10^-6 cm/s High 0.85
dh-clint Dog hepatocyte intrinsic clearance 19.953 uL/min/10^6 cells High 0.85
dppb Dog plasma protein binding (% unbound) 25.310 % High 0.85
fcs-ppb Fetal calf serum protein binding (% unbound) 24.150 % High 0.85
herg hERG pIC50 5.334 pIC50 High 0.85
hh-clint Human hepatocyte intrinsic clearance 25.823 uL/min/10^6 cells High 0.85
hlm-clint Human liver microsomal intrinsic clearance 102.094 uL/min/mg protein High 0.85
hppb Human plasma protein binding (% unbound) 20.860 % High 0.85
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK7,MAPKAPK2,NTRK2,PDK2,PDK4,PIK3CB,PRKDC,TEK,TGFBR1 23
kinase-selectivity-class AXL,GRK2,PDK4 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.380 High 0.85
mh-clint Mouse hepatocyte intrinsic clearance 183.654 High 0.85
mppb Mouse plasma protein binding (% unbound) 28.190 High 0.85
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 8.375 High 0.85
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 49.140 % High 0.85
rh-clint Rat hepatocyte intrinsic clearance 221.820 uL/min/10^6 cells High 0.85
rh-fuinc Rat hepatocyte fraction unbound in incubation 61.970 % High 0.85
rppb Rat plasma protein binding (% unbound) 32.220 % High 0.85
solubility-dd Solubility at pH 7.4 in DMSO 870.964 uM High 0.85

Approvals:

DateAgencyCompanyOrphan
None FDA

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 R05DB05 RESPIRATORY SYSTEM
COUGH AND COLD PREPARATIONS
COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Other cough suppressants
MeSH PA D000996 Antitussive Agents
MeSH PA D002491 Central Nervous System Agents
MeSH PA D019141 Respiratory System Agents

Related Drugs by ATC class:

R05DB Other cough suppressants 25 drugs
benproperinebenzonatatebibenzoniumbutamirateclobutinolclofedanolcloperastinedibunatedimethoxanatedropropizinedroxypropinefedrilate show all 25 →

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

DiseaseRelationSNOMED_IDDOID
Vasomotor rhinitis indication 8229003 DOID:4730
Cough indication 49727002
Allergic rhinitis indication 61582004
Nasal discharge indication 64531003
Nasal congestion indication 68235000
Rhinitis indication 70076002 DOID:4483
Common cold indication 82272006 DOID:10459
Ocular hypertension contraindication 4210003 DOID:9282
Peptic ulcer contraindication 13200003 DOID:750
Chronic obstructive lung disease contraindication 13645005 DOID:3083
Hyperkalemia contraindication 14140009
Myocardial infarction contraindication 22298006 DOID:5844
Ventricular tachycardia contraindication 25569003
Hyperthyroidism contraindication 34486009 DOID:7998
Acute hepatitis contraindication 37871000
Hypertensive disorder contraindication 38341003 DOID:10763
Conduction disorder of the heart contraindication 44808001
Chronic heart failure contraindication 48447003
Bradycardia contraindication 48867003
Disorder of cardiovascular system contraindication 49601007 DOID:1287
Acidosis contraindication 51387008
Coronary arteriosclerosis contraindication 53741008 DOID:3393
Acute nephropathy contraindication 58574008
Metabolic acidosis contraindication 59455009
Arterial thrombosis contraindication 65198009
Psychotic disorder contraindication 69322001
Arteriosclerotic vascular disease contraindication 72092001
Diabetes mellitus contraindication 73211009 DOID:9351
Chronic idiopathic constipation contraindication 82934008
Gastrointestinal obstruction contraindication 126765001
Partial atrioventricular block contraindication 195039008
Acute pancreatitis contraindication 197456007 DOID:2913
Hyporeninemic hypoaldosteronism contraindication 236464008
Bladder outflow obstruction contraindication 236645006
Rhabdomyolysis contraindication 240131006
Benign prostatic hyperplasia contraindication 266569009
Retention of urine contraindication 267064002
Primary adrenocortical insufficiency contraindication 373662000
Hypoxia contraindication 389086002
Angle-closure glaucoma contraindication 392291006 DOID:13550
Breastfeeding (mother) contraindication 413712001
Chronic myocardial ischemia contraindication 413844008 DOID:3393
Disorder of coronary artery contraindication 414024009
Myocardial ischemia contraindication 414795007 DOID:3393
Traumatic injury contraindication 417746004
Hypertensive urgency contraindication 443482000




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.15 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
Sigma non-opioid intracellular receptor 1 Membrane receptor Ki 7.71 CHEMBL
Muscarinic acetylcholine receptor M1 GPCR Ki 7.12 CHEMBL
Muscarinic acetylcholine receptor M2 GPCR Ki 6.78 CHEMBL
Lysosomal Pro-X carboxypeptidase Enzyme IC50 7.49 CHEMBL
Solute carrier family 22 member 1 Transporter IC50 5.81 CHEMBL
Transmembrane protein 97 Enzyme Ki 5.71 CHEMBL
Sodium-dependent dopamine transporter Transporter Ki 5.51 CHEMBL
Sigma non-opioid intracellular receptor 1 Membrane receptor Ki 7.96 CHEMBL

External reference:

IDSource
4019655 VUID
N0000179067 NUI
D01260 KEGG_DRUG
23142-01-0 SECONDARY_CAS_RN
20217 RXNORM
CHEBI:94484 CHEBI
CHEMBL73234 ChEMBL_ID
CHEMBL1256696 ChEMBL_ID
C018861 MESH_SUPPLEMENTAL_RECORD_UI
474 INN_ID
DB11186 DRUGBANK_ID
32C726X12W UNII
14872 MMSL
4353 MMSL
d03573 MMSL
37957009 SNOMEDCT_US
412344009 SNOMEDCT_US
703555004 SNOMEDCT_US
C0054668 UMLSCUI
2562 PUBCHEM_CID
4018918 VANDF
4019655 VANDF
001656 NDDF
004671 NDDF
006192 NDDF

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
PANCOLD A HUMAN OTC DRUG LABEL 6 51352-189 LIQUID 15 mg ORAL OTC Monograph Drug 14 sections