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

Stem definitionDrug idCAS RN
2180 84-04-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • pipamazine
  • mornidine
  • nausidol
  • nometine
  • Molecular weight: 401.95
  • Formula: C21H24ClN3OS
  • CLOGP: 4.12
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 1
  • TPSA: 49.57
  • ALOGS: -5.23
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.326 Moderate 0.75
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.754 Moderate 0.75
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 17.824 10^-6 cm/s Moderate 0.75
dh-clint Dog hepatocyte intrinsic clearance 22.646 uL/min/10^6 cells Moderate 0.75
dppb Dog plasma protein binding (% unbound) 1.400 % Moderate 0.75
fcs-ppb Fetal calf serum protein binding (% unbound) 5.750 % Moderate 0.75
herg hERG pIC50 6.216 pIC50 Moderate 0.75
hh-clint Human hepatocyte intrinsic clearance 12.162 uL/min/10^6 cells Moderate 0.75
hlm-clint Human liver microsomal intrinsic clearance 42.756 uL/min/mg protein Moderate 0.75
hppb Human plasma protein binding (% unbound) 1.690 % Moderate 0.75
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 4.977 Moderate 0.75
mh-clint Mouse hepatocyte intrinsic clearance 77.446 Moderate 0.75
mppb Mouse plasma protein binding (% unbound) 2.250 Moderate 0.75
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 22.542 Moderate 0.75
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 6.040 % Moderate 0.75
rh-clint Rat hepatocyte intrinsic clearance 172.584 uL/min/10^6 cells Moderate 0.75
rh-fuinc Rat hepatocyte fraction unbound in incubation 10.260 % Moderate 0.75
rppb Rat plasma protein binding (% unbound) 1.560 % Moderate 0.75
solubility-dd Solubility at pH 7.4 in DMSO 19.953 uM Moderate 0.75

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:

None

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 13.41 acidic
pKa2 8.95 Basic
pKa3 2.21 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
5-hydroxytryptamine receptor 1A GPCR Ki 5.99 DRUG MATRIX
D(1A) dopamine receptor GPCR Ki 7.80 DRUG MATRIX
D(2) dopamine receptor GPCR Ki 8.87 DRUG MATRIX
Alpha-2A adrenergic receptor GPCR Ki 7.60 DRUG MATRIX
Sigma non-opioid intracellular receptor 1 Membrane receptor Ki 7.32 DRUG MATRIX
Sodium-dependent serotonin transporter Transporter Ki 6.46 DRUG MATRIX
Sodium-dependent noradrenaline transporter Transporter Ki 6.35 DRUG MATRIX
5-hydroxytryptamine receptor 2A GPCR Ki 9.26 DRUG MATRIX
5-hydroxytryptamine receptor 2B GPCR Ki 7.51 DRUG MATRIX
5-hydroxytryptamine receptor 2C GPCR Ki 7.96 DRUG MATRIX
5-hydroxytryptamine receptor 6 GPCR Ki 7.28 DRUG MATRIX
Alpha-2B adrenergic receptor GPCR Ki 9.11 DRUG MATRIX
D(3) dopamine receptor GPCR Ki 8.80 DRUG MATRIX
Histamine H1 receptor GPCR Ki 8.94 DRUG MATRIX
Muscarinic acetylcholine receptor M5 GPCR Ki 5.65 DRUG MATRIX
Alpha-2C adrenergic receptor GPCR Ki 8.19 DRUG MATRIX
Cytochrome P450 2D6 Enzyme IC50 7 DRUG MATRIX
Alpha-1D adrenergic receptor GPCR Ki 9.02 DRUG MATRIX
Alpha-1B adrenergic receptor GPCR Ki 8.85 DRUG MATRIX
5-hydroxytryptamine receptor 1B GPCR Ki 5.86 DRUG MATRIX
Membrane-associated progesterone receptor component 1 Membrane receptor Ki 6.43 DRUG MATRIX
Alpha-1A adrenergic receptor GPCR IC50 8.29 CHEMBL
5-hydroxytryptamine receptor 1A GPCR IC50 5.75 CHEMBL

External reference:

IDSource
D02606 KEGG_DRUG
C0301468 UMLSCUI
CHEBI:135641 CHEBI
CHEMBL1909072 ChEMBL_ID
6761 PUBCHEM_CID
884 INN_ID
653552FH1N UNII
89775008 SNOMEDCT_US

Pharmaceutical products:

None