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

Stem definitionDrug idCAS RN
3505 501-81-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • geriavit
  • 3-pyridine-acetic acid
  • 3-pyridineacetic acid
  • 3-pyridylacetic acid
  • piristerol
  • homonicotinic acid
  • Molecular weight: 137.14
  • Formula: C7H7NO2
  • CLOGP: -0.08
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 50.19
  • ALOGS: -0.37
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -3.632 Moderate 0.65
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.650 Moderate 0.65
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.194 10^-6 cm/s Moderate 0.65
dh-clint Dog hepatocyte intrinsic clearance 1.337 uL/min/10^6 cells Moderate 0.65
dppb Dog plasma protein binding (% unbound) 84.630 % Moderate 0.65
fcs-ppb Fetal calf serum protein binding (% unbound) 74.520 % Moderate 0.65
herg hERG pIC50 4.169 pIC50 Moderate 0.65
hh-clint Human hepatocyte intrinsic clearance 1.849 uL/min/10^6 cells Moderate 0.65
hlm-clint Human liver microsomal intrinsic clearance 3.199 uL/min/mg protein Moderate 0.65
hppb Human plasma protein binding (% unbound) 85.190 % Moderate 0.65
kinase-safety-class ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK1,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 45
kinase-selectivity-class AXL,BRAF,EIF2AK3,GRK2,MAP2K6,TGFBR1 6
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.287 Moderate 0.65
mh-clint Mouse hepatocyte intrinsic clearance 0.679 Moderate 0.65
mppb Mouse plasma protein binding (% unbound) 95.750 Moderate 0.65
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.094 Moderate 0.65
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 75.810 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 1.099 uL/min/10^6 cells Moderate 0.65
rh-fuinc Rat hepatocyte fraction unbound in incubation 90.100 % Moderate 0.65
rppb Rat plasma protein binding (% unbound) 80.760 % Moderate 0.65
solubility-dd Solubility at pH 7.4 in DMSO 1011.579 uM Moderate 0.65

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
CHEBI has role CHEBI:76967 human xenobiotic metabolite

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 3.89 acidic
pKa2 5.61 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
Hydroxycarboxylic acid receptor 2 GPCR AGONIST EC50 5.30 IUPHAR

External reference:

IDSource
C2934609 UMLSCUI
108 PUBCHEM_CID
1590 IUPHAR_LIGAND_ID
7UFO07435N UNII

Pharmaceutical products:

None