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

Stem definitionDrug idCAS RN
172 695-34-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • aminopicoline hydrochloride
  • 2-amino-4-picoline
  • aminopicoline
  • 2-amino-4-methylpyridine
  • aminton
  • ascensil
  • Molecular weight: 108.14
  • Formula: C6H8N2
  • CLOGP: 0.82
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 38.91
  • ALOGS: 0.24
  • ROTB: 0

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.617 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.158 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 45.082 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 2.871 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 82.450 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 84.870 % High 1
herg hERG pIC50 4.393 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 3.724 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 3.954 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 60.490 % High 1
kinase-safety-class ACVR1B,ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK16,CDK19,CDK2,CDK5,CDK7,CDK9,CHEK1,CLK4,CSF1R,DDR1,DYRK1A,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK1,GRK2,GSK3B,IRAK1,IRAK3,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK12,MAPK7,MAPK9,MARK4,MELK,MET,MTOR,NTRK1,NTRK2,PDK2,PDK4,PIK3CD,PIM2,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TNIK,TTK,ULK1,ULK2 70
kinase-selectivity-class AXL,ERBB2 2
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.444 High 1
mh-clint Mouse hepatocyte intrinsic clearance 5.546 High 1
mppb Mouse plasma protein binding (% unbound) 89.760 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.470 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 84.600 % High 1
rh-clint Rat hepatocyte intrinsic clearance 2.649 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 94.520 % High 1
rppb Rat plasma protein binding (% unbound) 78.250 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 224.388 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:

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 7.1 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
Nitric oxide synthase, inducible Enzyme INHIBITOR IC50 7.40 IUPHAR

External reference:

IDSource
BVF PDB_CHEM_ID
1533 PUBCHEM_CID
C015672 MESH_SUPPLEMENTAL_RECORD_UI
C0045846 UMLSCUI
CHEBI:41210 CHEBI
5111 IUPHAR_LIGAND_ID
394N1Z644H UNII

Pharmaceutical products:

None