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

Stem definitionDrug idCAS RN
dopaminergic agents dopamine derivatives used as cardiac stimulant/antihypertensives/diuretics 948 86197-47-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • dopexamine
  • Molecular weight: 356.51
  • Formula: C22H32N2O2
  • CLOGP: 3.32
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 4
  • TPSA: 64.52
  • ALOGS: -5.17
  • ROTB: 13

Drug dosage:

DoseUnitRoute
0.50 g P

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.958 High 0.83
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.532 High 0.83
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.271 10^-6 cm/s High 0.83
dh-clint Dog hepatocyte intrinsic clearance 5.297 uL/min/10^6 cells High 0.83
dppb Dog plasma protein binding (% unbound) 34.210 % High 0.83
fcs-ppb Fetal calf serum protein binding (% unbound) 62.720 % High 0.83
herg hERG pIC50 4.675 pIC50 High 0.83
hh-clint Human hepatocyte intrinsic clearance 7.112 uL/min/10^6 cells High 0.83
hlm-clint Human liver microsomal intrinsic clearance 10.116 uL/min/mg protein High 0.83
hppb Human plasma protein binding (% unbound) 44.550 % High 0.83
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2A,CAMK2B,CAMK2D,CAMK2G,CDK1,CDK16,CDK19,CDK2,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT3,FLT4,GAK,GRK1,GRK2,GRK3,GSK3A,GSK3B,IGF1R,IKBKB,INSR,IRAK1,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAP4K2,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MELK,MET,MTOR,NTRK1,NTRK2,PAK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PIM3,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SGK1,SIK2,SIK3,SRC,STK33,SYK,TEK,TGFBR1,TTK,TYRO3,ULK1,ULK2,ZAP70 110
kinase-selectivity-class AAK1,ACVRL1,AKT2,AKT3,ALK,AXL,BRAF,CAMK2A,CAMK2B,CAMK2D,CDK4,CDK7,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,FLT4,GRK2,INSR,KIT,MAP2K6,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPK8,MARK4,MELK,NUAK1,PAK4,PDK4,PDPK1,PIK3CD,PLK1,PLK2,PLK3,PRKACA,PRKCD,PTK2,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 51
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.259 High 0.83
mh-clint Mouse hepatocyte intrinsic clearance 42.954 High 0.83
mppb Mouse plasma protein binding (% unbound) 29.420 High 0.83
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.004 High 0.83
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 56.470 % High 0.83
rh-clint Rat hepatocyte intrinsic clearance 16.943 uL/min/10^6 cells High 0.83
rh-fuinc Rat hepatocyte fraction unbound in incubation 60.380 % High 0.83
rppb Rat plasma protein binding (% unbound) 29.040 % High 0.83
solubility-dd Solubility at pH 7.4 in DMSO 656.145 uM High 0.83

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1989 YEAR INTRODUCED

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 C01CA14 CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Adrenergic and dopaminergic agents
MeSH PA D000318 Adrenergic beta-Agonists
MeSH PA D000322 Adrenergic Agonists
MeSH PA D002317 Cardiovascular Agents
MeSH PA D014665 Vasodilator Agents
MeSH PA D015259 Dopamine Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018491 Dopamine Agonists
MeSH PA D018663 Adrenergic Agents
CHEBI has role CHEBI:35554 cardiovascular drug

Related Drugs by ATC class:

C01CA Adrenergic and dopaminergic agents 25 drugs
amezinium metilsulfatearbutaminecafedrinedimetofrinedobutaminedopaminedroxidopaephedrineepinephrineetilefrinefenoldopamgepefrine show all 25 →

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 10.35 acidic
pKa2 13.49 acidic
pKa3 9.93 Basic
pKa4 9.24 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
Beta-2 adrenergic receptor GPCR WOMBAT-PK
D(1A) dopamine receptor GPCR WOMBAT-PK

External reference:

IDSource
D03891 KEGG_DRUG
C0058702 UMLSCUI
CHEBI:135507 CHEBI
CHEMBL77622 ChEMBL_ID
DB12313 DRUGBANK_ID
C046318 MESH_SUPPLEMENTAL_RECORD_UI
55483 PUBCHEM_CID
5455 INN_ID
398E7Z7JB5 UNII
23638 RXNORM
003701 NDDF
349922000 SNOMEDCT_US
419490003 SNOMEDCT_US
398E7Z7JB5 INXIGHT DRUGS

Pharmaceutical products:

None