denopamine 🐶 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 806 71771-90-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • denopamine
  • kalgut
  • carguto
  • Molecular weight: 317.39
  • Formula: C18H23NO4
  • CLOGP: 1.47
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 3
  • TPSA: 70.95
  • ALOGS: -3.76
  • ROTB: 8

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.101 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 4.887 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.817 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 5.834 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 61.700 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 70.480 % High 1
herg hERG pIC50 4.391 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 2.606 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 7.709 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 71.100 % High 1
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPK9,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 50
kinase-selectivity-class AKT3,AXL,BRAF,CDK9,DDR1,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K6,MAPK12,PDK4,PIK3CD,PRKCD,PRKDC,SIK2,STK33,TEK,TTK 19
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.301 High 1
mh-clint Mouse hepatocyte intrinsic clearance 49.431 High 1
mppb Mouse plasma protein binding (% unbound) 60.110 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 4.159 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 71.950 % High 1
rh-clint Rat hepatocyte intrinsic clearance 33.037 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 83.240 % High 1
rppb Rat plasma protein binding (% unbound) 57.200 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 857.038 uM High 1

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 D000318 Adrenergic beta-Agonists
MeSH PA D000322 Adrenergic Agonists
MeSH PA D002316 Cardiotonic Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018663 Adrenergic Agents
MeSH PA D020011 Protective Agents

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 10.17 acidic
pKa2 8.43 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-1 adrenergic receptor GPCR AGONIST Ki 5.80 IUPHAR SCIENTIFIC LITERATURE
Solute carrier family 22 member 1 Transporter IC50 4.33 CHEMBL

External reference:

IDSource
D02614 KEGG_DRUG
C0075749 UMLSCUI
CHEBI:135359 CHEBI
CHEMBL493682 ChEMBL_ID
C037293 MESH_SUPPLEMENTAL_RECORD_UI
5311064 PUBCHEM_CID
534 IUPHAR_LIGAND_ID
5460 INN_ID
V5F60UPD8P UNII
008205 NDDF
V5F60UPD8P INXIGHT DRUGS

Pharmaceutical products:

None