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

Stem definitionDrug idCAS RN
nicotinic acid or nicotinoyl alcohol derivatives 4675 553-06-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • nicofetamide
  • lispamina
  • lyspamin
  • nicofetamida
  • Molecular weight: 302.38
  • Formula: C20H18N2O
  • CLOGP: 3.95
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 41.99
  • ALOGS: -4.88
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 3.029 Moderate 0.73
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.767 Moderate 0.73
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 63.680 10^-6 cm/s Moderate 0.73
dh-clint Dog hepatocyte intrinsic clearance 10.520 uL/min/10^6 cells Moderate 0.73
dppb Dog plasma protein binding (% unbound) 10.280 % Moderate 0.73
fcs-ppb Fetal calf serum protein binding (% unbound) 23.690 % Moderate 0.73
herg hERG pIC50 4.399 pIC50 Moderate 0.73
hh-clint Human hepatocyte intrinsic clearance 4.581 uL/min/10^6 cells Moderate 0.73
hlm-clint Human liver microsomal intrinsic clearance 15.524 uL/min/mg protein Moderate 0.73
hppb Human plasma protein binding (% unbound) 9.170 % Moderate 0.73
kinase-safety-class ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,MAPK9,MAPKAPK2,MARK4,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SIK2,SIK3,STK33,TEK,TTK 29
kinase-selectivity-class AXL,BRAF,EIF2AK3,EPHB4,ERBB2,GRK2,PDK4,SIK2 8
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.830 Moderate 0.73
mh-clint Mouse hepatocyte intrinsic clearance 30.974 Moderate 0.73
mppb Mouse plasma protein binding (% unbound) 8.850 Moderate 0.73
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 2.355 Moderate 0.73
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 21.590 % Moderate 0.73
rh-clint Rat hepatocyte intrinsic clearance 41.400 uL/min/10^6 cells Moderate 0.73
rh-fuinc Rat hepatocyte fraction unbound in incubation 65.790 % Moderate 0.73
rppb Rat plasma protein binding (% unbound) 11.410 % Moderate 0.73
solubility-dd Solubility at pH 7.4 in DMSO 25.003 uM Moderate 0.73

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
ATC A03AC04 ALIMENTARY TRACT AND METABOLISM
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthetic antispasmodics, amides with tertiary amines

Related Drugs by ATC class:

A03AC Synthetic antispasmodics, amides with tertiary amines 2 drugs
dimethylaminopropionylphenothiazinetiropramide

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 11.87 acidic
pKa2 3.29 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
CHEBI:81301 CHEBI
CHEMBL3707234 ChEMBL_ID
DB13531 DRUGBANK_ID
9882JU353F UNII
C3652677 UMLSCUI
3033975 PUBCHEM_CID

Pharmaceutical products:

None